2-Amino-5-bromo-4-methoxybenzoic acid - CAS 169045-04-9
Catalog: |
BB042549 |
Product Name: |
2-Amino-5-bromo-4-methoxybenzoic acid |
CAS: |
169045-04-9 |
Synonyms: |
2-Amino-5-bromo-4-methoxy benzoic acid; ACMC-20a9na |
IUPAC Name: | 2-amino-5-bromo-4-methoxybenzoic acid |
Description: | 2-Amino-5-bromo-4-methoxybenzoic acid (CAS# 169045-04-9 ) is a useful research chemical. |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | COC1=C(C=C(C(=C1)N)C(=O)O)Br |
InChI: | InChI=1S/C8H8BrNO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | YTAASTFSTXYEIX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, 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 |
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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