2-Amino-5-bromo-3-methoxybenzoic acid - CAS 864293-44-7
Catalog: |
BB042523 |
Product Name: |
2-Amino-5-bromo-3-methoxybenzoic acid |
CAS: |
864293-44-7 |
Synonyms: |
Benzoic acid, 2-amino-5-bromo-3-methoxy-; 2-amino-5-bromo-3-(methyloxy)benzoic acid |
IUPAC Name: | 2-amino-5-bromo-3-methoxybenzoic acid |
Description: | 2-Amino-5-bromo-3-methoxybenzoic acid (CAS# 864293-44-7 ) is a useful research chemical. |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | COC1=CC(=CC(=C1N)C(=O)O)Br |
InChI: | InChI=1S/C8H8BrNO3/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | YSBGYQUUOKRQAT-UHFFFAOYSA-N |
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 (100%): 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: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.96876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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