C1=CC(=C(C=C1Br)F)C(=O)O
CAS: 112704-79-7
Nom: 4-bromo-2-fluorobenzoic acid
SMILES: C1=CC(=C(C=C1Br)F)C(=O)O

Molecular Processing

Molecular formula
C7H4BrFO2
Molecular weight
219.01
Exact mass
217.9379
XLogP
2.29
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.06

Supplementary Information

InChIKey: ZQQSRVPOAHYHEL-UHFFFAOYSA-N
Synonymes
4-Bromo-2-fluorobenzoic acid112704-79-7Benzoic acid, 4-bromo-2-fluoro-ZQQSRVPOAHYHEL-UHFFFAOYSA-DTXSID60307209RefChem:519701DTXCID90258336630-232-3InChI=1/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)2-Fluoro-4-bromobenzoic acid4-Bromo-2-fluoro-benzoic acidMFCD00143263NSC-1903644-Bromo-2-fluorobenzoicacidEnzalutamide Impurity A2-Fluoro-4-bromobenzoic Acid; NSC 190364; 4-Bromo-2-fluorobenzoic Acid;Enzalutamide impurityNSC190364CNX7NG4GG6Enzalutamide EP impurity A2-fluro-4-bromobenzoic acidSCHEMBL156346CS-M3187SBB0630374-Bromo-2-fluorobenzoic acid, 97%4-bromo-2-fluorobenzenecarboxylic acidAKOS001274724AB03858AC-1417FB36908
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→