3-(3-bromo-2-fluorophenyl)propanoic acid - CAS 1261814-91-8
Catalog: |
BB072041 |
Product Name: |
3-(3-bromo-2-fluorophenyl)propanoic acid |
CAS: |
1261814-91-8 |
Synonyms: |
3-(3-Bromo-2-fluorophenyl)propanoic acid; Benzenepropanoic acid, 3-bromo-2-fluoro- |
IUPAC Name: | 3-(3-bromo-2-fluorophenyl)propanoic acid |
Description: | 3-(3-bromo-2-fluorophenyl)propanoic acid |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)F)CCC(=O)O |
InChI: | InChI=1S/C9H8BrFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13) |
InChI Key: | QUTHCORUZVGKKY-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: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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