6-bromoindole-2-carboxylic acid - CAS 16732-65-3
Catalog: |
BB043177 |
Product Name: |
6-bromoindole-2-carboxylic acid |
CAS: |
16732-65-3 |
Synonyms: |
1H-INDOLE-2-CARBOXYLIC ACID, 6-BROMO-; AKOS JY2083011; 6-BROMOINDOLE-2-CARBOXYLIC ACID; 6-BROMO-1H-INDOLE-2-CARBOXYLIC ACID; 6-BROMO-2-INDOLECARBOXYLIC ACID; 6-BROMOINDOLE-2-CARBOXYLIC ACID 98%; Bromoindole-2-carboxylic acid; 6-Bromoindole-2-carboxylic acid ,99% |
IUPAC Name: | 6-bromo-1H-indole-2-carboxylic acid |
Description: | 6-bromoindole-2-carboxylic acid (CAS# 16732-65-3 ) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=C2)C(=O)O |
InChI: | InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13) |
InChI Key: | SVBVYRYROZWKNJ-UHFFFAOYSA-N |
Purity: | 97 % |
Density: | 1.838 g/cm3 |
Appearance: | Light yellow powder |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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