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202000-99-5 | Benzeneacetic acid, 3-bromo-5-fluoro-
CAS No: 202000-99-5 Catalog No: AG0027ZV MDL No:MFCD09258961
Product Description
Catalog Number:
AG0027ZV
Chemical Name:
Benzeneacetic acid, 3-bromo-5-fluoro-
CAS Number:
202000-99-5
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD09258961
IUPAC Name:
2-(3-bromo-5-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrFO2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChI Key:
JWWAJSAOIABGKW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)cc(c1)Br
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:
2.2
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