C1=CC(=C(C=C1F)C(=O)O)Br
CAS: 394-28-5
Name: 2-bromo-5-fluorobenzoic acid
SMILES: C1=CC(=C(C=C1F)C(=O)O)Br

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: OQBMJMJZMDBQSM-UHFFFAOYSA-N
Synonyme
2-Bromo-5-fluorobenzoic acid394-28-5Benzoic acid, 2-bromo-5-fluoro-DTXSID90380803RefChem:85768DTXCID20331828609-678-82-bromo-5-fluoro-benzoic Acid5-fluoro-2-bromobenzoic acidMFCD001428742-Bromo-5-fluorobenzoicacidSCHEMBL221445CK2228SBB0634032-Bromo-5-fluorobenzoic acid, 96%AKOS001281793AB03824AC-2540CS-W014777FB12070GS-3044SY001902DB-006014NS00124139ST50320221EN300-14288AS-710/43364253F005471Z104510142
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