4-Chloro-1H-indole-7-carboxylic acid - CAS 875305-77-4
Catalog: |
BB054133 |
Product Name: |
4-Chloro-1H-indole-7-carboxylic acid |
CAS: |
875305-77-4 |
Synonyms: |
1H-Indole-7-carboxylic acid, 4-chloro- |
IUPAC Name: | 4-chloro-1H-indole-7-carboxylic acid |
Molecular Weight: | 195.60 |
Molecular Formula: | C9H6ClNO2 |
Canonical SMILES: | C1=CC(=C2C=CNC2=C1C(=O)O)Cl |
InChI: | InChI=1S/C9H6ClNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13) |
InChI Key: | FSSABPRCBJORSR-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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