2-Amino-4-fluoro-5-methoxybenzoic acid - CAS 637347-90-1
Catalog: |
BB074820 |
Product Name: |
2-Amino-4-fluoro-5-methoxybenzoic acid |
CAS: |
637347-90-1 |
Synonyms: |
2-AMINO-4-FLUORO-5-METHOXYBENZOIC ACID; 2-Amino-4-fluoro-5-methoxy-benzoic acid; BENZOIC ACID, 2-AMINO-4-FLUORO-5-METHOXY-; Benzoic acid, 2-amino-4-fluoro-5-methoxy- (9CI) |
IUPAC Name: | 2-amino-4-fluoro-5-methoxybenzoic acid |
Description: | 2-Amino-4-fluoro-5-methoxybenzoic acid |
Molecular Weight: | 185.15 |
Molecular Formula: | C8H8FNO3 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)N)F |
InChI: | InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | IRDKEEYUZLEIGW-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 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04882128 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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