| CAS Number | 1292287-11-6 |
| Catalog Number | AG000YZB(AGN-PC-0WBRUV) |
| Chemical Name | 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 2-chloro- |
| IUPAC Name | 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C7H4ClN3O2/c8-7-10-4(6(12)13)3-1-2-9-5(3)11-7/h1-2H,(H,12,13)(H,9,10,11) |
| InChI Key | JYJJQIASHARUKN-UHFFFAOYSA-N |
| MDL Number | MFCD20661080 |
| Molecular Formula | C7H4ClN3O2 |
| Molecular Weight | 197.5786 |
| SMILES | O=C(C1=C2C(NC=C2)=NC(Cl)=N1)O |
| Synonyms | 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid,
1292287-11-6,
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 2-chloro-,
SCHEMBL1654705,
KS-000005TP,
MFCD20661080,
AKOS025289780,
ZINC116780370,
FCH1241556,
SB14569,
AK171332,
AS-51508,
CS-0051927,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.578g/mol |
| Monoisotopic Mass | 196.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H317-H319-H335
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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