5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid - CAS 1190321-93-7
Catalog: |
BB004398 |
Product Name: |
5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
CAS: |
1190321-93-7 |
Synonyms: |
5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid; 5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
IUPAC Name: | 5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
Description: | 5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CAS# 1190321-93-7 ) is a useful research chemical. |
Molecular Weight: | 196.59 |
Molecular Formula: | C8H5ClN2O2 |
Canonical SMILES: | C1=CC(=NC2=C1NC=C2C(=O)O)Cl |
InChI: | InChI=1S/C8H5ClN2O2/c9-6-2-1-5-7(11-6)4(3-10-5)8(12)13/h1-3,10H,(H,12,13) |
InChI Key: | TZSOQTONJMMMMC-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0039551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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