2-Bromo-4,6-difluorobenzoic Acid - CAS 651026-99-2
Catalog: |
BB070738 |
Product Name: |
2-Bromo-4,6-difluorobenzoic Acid |
CAS: |
651026-99-2 |
Synonyms: |
2-Bromo-4,6-difluorobenzoic acid; Benzoic acid, 2-bromo-4,6-difluoro-; 2-Bromo-4,6-difluorobenzoicacid; 2,4-Difluoro-6-bromobenzoic acid |
IUPAC Name: | 2-bromo-4,6-difluorobenzoic acid |
Molecular Weight: | 237 |
Molecular Formula: | C7H3BrF2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1F)C(=O)O)Br)F |
InChI: | InChI=1S/C7H3BrF2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12) |
InChI Key: | GKYHVDQTGWPNBP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): 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: | 235.92845 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92845 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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