| CAS Number | 1111237-76-3 |
| Catalog Number | AG007BHR(AGN-PC-0CXYP6) |
| Chemical Name | 5-Bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C7H5BrClN3/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2H,1H3,(H,10,11,12) |
| InChI Key | XGBXHIJPFPEGBV-UHFFFAOYSA-N |
| MDL Number | MFCD16249868 |
| Molecular Formula | C7H5BrClN3 |
| Molecular Weight | 246.4917 |
| SMILES | CC1=NC2=C(C(Br)=CN2)C(Cl)=N1 |
| Synonyms | 5-Bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine,
1111237-76-3,
SCHEMBL13215442,
CTK8B7369,
DTXSID60732032,
ANW-57121,
MFCD16249868,
ZINC82046540,
AKOS016002455,
FCH1396354,
SB16457,
KS-0000062N,
DS-15792,
AJ-124235,
AX8219784,
TC-145866,
CS-0050591,
ST24023956,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.492g/mol |
| Monoisotopic Mass | 244.936g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number