6-chloro-2,3-dihydro-1H-indole-5-carboxylic acid - CAS 1375472-84-6
Catalog: |
BB057298 |
Product Name: |
6-chloro-2,3-dihydro-1H-indole-5-carboxylic acid |
CAS: |
1375472-84-6 |
Synonyms: |
6-Chloroindoline-5-carboxylic acid; 6-chloro-2,3-dihydro-1H-indole-5-carboxylic acid; 6-Chloroindoline-5-carboxylicacid |
IUPAC Name: | 6-chloro-2,3-dihydro-1H-indole-5-carboxylic acid |
Description: | 6-chloro-2,3-dihydro-1H-indole-5-carboxylic acid (cas# 1375472-84-6) is a useful research chemical. |
Molecular Weight: | 197.62 |
Molecular Formula: | C9H8NO2Cl |
Canonical SMILES: | C1CNC2=CC(=C(C=C21)C(=O)O)Cl |
InChI: | InChI=1S/C9H8ClNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h3-4,11H,1-2H2,(H,12,13) |
InChI Key: | OHHNBXMUBNBHFI-UHFFFAOYSA-N |
Melting Point: | 172 - 175°C |
Solubility: | DMSO (Sparingly), Methanol (Slightly) |
Appearance: | Light Brown to Brown Solid |
Storage: | 4°C, Inert atmosphere |
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 |
Publication Number | Title | Priority Date |
JP-2021534166-A | N-cyano-7-azanorbornane derivative and its use | 20180814 |
US-2007232617-A1 | Indole-type derivatives as inhibitors of p38 kinase | 20020903 |
US-7220763-B2 | Indole-type derivatives as inhibitors of p38 kinase | 20020903 |
US-7488744-B2 | Indole-type derivatives as inhibitors of p38 kinase | 20020903 |
US-7291613-B2 | Inhibitors of p38 kinase | 20001120 |
US-7189726-B2 | Benzofuran derivatives as inhibitors of p38-α kinase | 19990917 |
US-7304048-B2 | Indole-type derivatives as inhibitors of p38 kinase | 19990917 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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