4-Bromo-3-fluoro-5-nitrobenzoic Acid - CAS 1249531-65-4
Catalog: |
BB071004 |
Product Name: |
4-Bromo-3-fluoro-5-nitrobenzoic Acid |
CAS: |
1249531-65-4 |
Synonyms: |
4-bromo-3-fluoro-5-nitrobenzoic acid; 4-bromo-3-fluoro-5-nitrobenzoicacid |
IUPAC Name: | 4-bromo-3-fluoro-5-nitrobenzoic acid |
Molecular Weight: | 264.01 |
Molecular Formula: | C7H3NO4FBr |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])Br)F)C(=O)O |
InChI: | InChI=1S/C7H3BrFNO4/c8-6-4(9)1-3(7(11)12)2-5(6)10(13)14/h1-2H,(H,11,12) |
InChI Key: | VNBUOQRPHGBTIQ-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: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.92295 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.92295 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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