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1379351-68-4 | Benzoic acid, 3-(bromomethyl)-5-fluoro-
CAS No: 1379351-68-4 Catalog No: AG0017OJ MDL No:
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
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
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