5-Chloro-1H-pyrrolo[3,2-B]pyridine-2-carboxylic Acid
Catalog: |
BB069764 |
Product Name: |
5-Chloro-1H-pyrrolo[3,2-B]pyridine-2-carboxylic Acid |
Synonyms: |
5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid |
IUPAC Name: | 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid |
Description: | N6-Benzyladenosine 5'-monophosphate sodium salt (CAS# 13484-66-7) is a useful research chemical compound. |
Molecular Weight: | 196.59 |
Molecular Formula: | C8H5N2O2Cl |
Canonical SMILES: | C1=CC(=NC2=C1NC(=C2)C(=O)O)Cl |
InChI: | InChI=1S/C8H5ClN2O2/c9-7-2-1-4-5(11-7)3-6(10-4)8(12)13/h1-3,10H,(H,12,13) |
InChI Key: | LTAXMSVURJPVQV-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
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: | 66Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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