![Chemical structure of 4-Chloropyrrolo[2,3-d]Pyrimidine, CAS 3680-69-1](https://api.angenesci.com/structure/2483/3680-69-1.png)
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| CAS Number | 3680-69-1 |
| Catalog Number | AG00340F(AGN-PC-0BSYA0) |
| Chemical Name | 4-Chloropyrrolo[2,3-d]Pyrimidine |
| IUPAC Name | 4-chloro-7H-pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10) |
| InChI Key | BPTCCCTWWAUJRK-UHFFFAOYSA-N |
| MDL Number | MFCD01686865 |
| Molecular Formula | C6H4ClN3 |
| Molecular Weight | 153.5691 |
| NSC Number | 64952 |
| SMILES | ClC1=C2C(NC=C2)=NC=N1 |
| Synonyms | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine,
3680-69-1,
4-Chloropyrrolo[2,3-d]pyrimidine,
6-Chloro-7-deazapurine,
4-Chloro-1H-pyrrolo[2,3-d]pyrimidine,
4-Chloropyrrolo(2,3-d)pyrimidine,
7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-,
Tofacitinib Impurity 06,
MFCD01686865,
NSC 64952,
BRN 0607871,
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-,
MLS002693495,
6-Chloro-7-deazapurine, 97%,
BPTCCCTWWAUJRK-UHFFFAOYSA-N,
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-,
6-Chloro-7-deazapurine (4-Chloro-1h-pyrrolo(2,3-d)pyrimidine),
4-Chloro-1H-pyrrolo(2,3-d)pyrimidine,
4-Chloro-7H-pyrrolo(2,3-d)pyrimidine,
NSC64952,
PubChem2040,
Tofacitinib Impurity Q,
PubChem15008,
6-Chloro-7-deazapurin,
AC1NS9KC,
AC1Q3HXK,
AC1Q3KVD,
G00038-Watson-Int,
6-chloro-7-deaza purine,
NCIOpen2_000244,
KSC497M0F,
SCHEMBL102201,
ACMC-20a061,
CHEMBL2133071,
CTK3J7602,
DTXSID70190280,
AM946,
BH795,
CAS Number: 3680-69-1,
HMS3085B16,
QC-52,
4-chloro-pyrrolo[2,3-d]pyrimidine,
ACN-S003142,
ACT01623,
ALBB-010107,
BCP01366,
CS-B0456,
EBD45489,
KS-000002PB,
ZINC6119142,
AN-414,
ANW-28490,
ANW-51143,
BBL104430,
CL3424,
FC0552,
MFCD21607070,
NSC-64952,
SBB050204,
STK506211,
WT2067,
4-chloro-7hpyrrolo[2,3-d]pyrimidine,
4chloro-7H-pyrrolo[2,3-d]pyrimidine,
AKOS005070307,
AKOS015966378,
4-Chloro-1H-pyrrol{2,3-D}pyrimidine,
4-chloro-7H-pyrrolo[2,3-d]primidine,
AC-2838,
CM14190,
GS-6804,
HP21247,
LS40282,
MCULE-9663273448,
PB12763,
RP01814,
RTC-020709,
TRA0007731,
4-chloro-1H-pyrrolo-[2,3-d]pyrimidine,
4-chloro-7h-pyrrolo[2,3-d] pyrimidine,
4-chloro-7H-pyrrolo[2,3-d]-pyrimidine,
4-chloro-7H-pyrrolo[2,3-d]pyr-imidine,
Name: 4-Chloropyrrolo[2,3-d]pyrimidine,
AJ-55874,
AK-23767,
AS-31013,
AT-19201,
BC678039,
BR-23767,
CJ-12935,
EN002193,
HC210278,
R887,
SC-03903,
SMR001559448,
SY003080,
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine #,
AB0018392,
AB0068577,
AB0071553,
AB1001514,
CK-05-007,
DB-031261,
LS-139562,
ST1191220,
TC-020709,
TL8002718,
4CH-006224,
A6334,
FT-0082323,
FT-0601986,
AZ0001-0272,
EN300-56508,
4-CHLORO-3H-PYRROLO[2,3-D]PYRIMIDINE,
A-2658,
X-1254,
3680-69-1 4-Chloropyrrolo[2,3-d]pyrimidine,
MFCD01686865 (97+%),
3Z-0603,
680C691,
Synonyms: 4-Chloro-1H-pyrrolo[2,3-d]pyrimidine,
Q-200553,
3680-69-1 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine,
4-chloro-7H-pyrrolo[2,3-d]pyrimidine/6-Chloro-7-de,
I14-33732,
F5608-0080,
6-bromoisatin,
4-Aminobenzonitrile,
C6H4ClN3,
cc-581,
C6-H4-Cl-N3,
6-Chloro-7-deazapurine, 98% 1g,
RW1583,
ACN-025026,
CID5356682,
4-chloro-7H-pyrrolo-(2,3-d)pyrimidine,
1-(4-bromobenzyl)pyrrolidine hydrochloride,
6-Chloro-7-deazapurine, 98% - 1G 1g,
4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine,
C2306,
16372-08-0,
760193-03-1,
873-74-5,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.569g/mol |
| Monoisotopic Mass | 153.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

