7-bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid - CAS 1368024-36-5
Catalog: |
BB008422 |
Product Name: |
7-bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid |
CAS: |
1368024-36-5 |
Synonyms: |
7-bromo-2H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid; 7-bromo-2H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid |
IUPAC Name: | 7-bromo-2H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid |
Description: | 7-bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid (CAS# 1368024-36-5 ) is a useful research chemical. |
Molecular Weight: | 243.02 |
Molecular Formula: | C6H3BrN4O2 |
Canonical SMILES: | C1=NC2=C(NN=C2C(=N1)Br)C(=O)O |
InChI: | InChI=1S/C6H3BrN4O2/c7-5-3-2(8-1-9-5)4(6(12)13)11-10-3/h1H,(H,10,11)(H,12,13) |
InChI Key: | AGOITZBXRDAGKR-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.94394 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.94394 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Related Functional Groups
Pyrazolo[n,m-d]Pyrimidine
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