| CAS Number | 1131992-30-7 |
| Catalog Number | AG0094R8(AGN-PC-0WAH9F) |
| Chemical Name | 6-Bromo-2,4-dichloro-3H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C6H2BrCl2N3/c7-3-1-2-4(8)11-6(9)12-5(2)10-3/h1H,(H,10,11,12) |
| InChI Key | QFWRTHITCIOTSI-UHFFFAOYSA-N |
| MDL Number | MFCD18642503 |
| Molecular Formula | C6H2BrCl2N3 |
| Molecular Weight | 266.9102 |
| SMILES | ClC1=C2C(NC(Br)=C2)=NC(Cl)=N1 |
| Synonyms | 1131992-30-7,
6-Bromo-2,4-dichloro-3H-pyrrolo[2,3-d]pyrimidine,
6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine,
SCHEMBL3653550,
KS-000005RP,
MFCD18642503,
ZINC59182572,
AKOS022186541,
FCH3813651,
SB14131,
AK144773,
AS-51333,
AJ-113307,
AX8283073,
ST24045146,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.881g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.907g/mol |
| Monoisotopic Mass | 264.881g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number