5-Amino-2-fluoro-3-hydroxybenzoic Acid - CAS 1025127-32-5
Catalog: |
BB074410 |
Product Name: |
5-Amino-2-fluoro-3-hydroxybenzoic Acid |
CAS: |
1025127-32-5 |
Synonyms: |
5-Amino-2-fluoro-3-hydroxybenzoic acid; 5-Amino-2-fluoro-3-hydroxybenzoicacid |
IUPAC Name: | 5-amino-2-fluoro-3-hydroxybenzoic acid |
Molecular Weight: | 171.13 |
Molecular Formula: | C7H6FNO3 |
Canonical SMILES: | C1=C(C=C(C(=C1C(=O)O)F)O)N |
InChI: | InChI=1S/C7H6FNO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,9H2,(H,11,12) |
InChI Key: | MTWVJKPFMPPDPV-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: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03317122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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