4-Chloro-6-fluoro-1h-indole-2-carboxylic acid - CAS 383133-62-8
Catalog: |
BB062513 |
Product Name: |
4-Chloro-6-fluoro-1h-indole-2-carboxylic acid |
CAS: |
383133-62-8 |
Synonyms: |
4-chloro-6-fluoro-1H-indole-2-carboxylic Acid |
IUPAC Name: | 4-chloro-6-fluoro-1H-indole-2-carboxylic acid |
Description: | 4-Chloro-6-fluoro-1h-indole-2-carboxylic acid |
Molecular Weight: | 213.59 |
Molecular Formula: | C9H5ClFNO2 |
Canonical SMILES: | C1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)F |
InChI: | InChI=1S/C9H5ClFNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-3,12H,(H,13,14) |
InChI Key: | RDHOUUUIUOTJBC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.9992843 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.9992843 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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