Home Halogens Benzoic acid, 3-(bromomethyl)-5-fluoro-

Benzoic acid, 3-(bromomethyl)-5-fluoro-

CAS No.:
1379351-68-4
Catalog Number:
AG0017OJ
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
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Product Description
Catalog Number:
AG0017OJ
Chemical Name:
Benzoic acid, 3-(bromomethyl)-5-fluoro-
CAS Number:
1379351-68-4
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD18378634
IUPAC Name:
3-(bromomethyl)-5-fluorobenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,4H2,(H,11,12)
InChI Key:
SSVXNXIMHOOTSB-UHFFFAOYSA-N
SMILES:
BrCc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties