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145689-41-4 | Benzeneacetic acid, 2,3-difluoro-
CAS No: 145689-41-4 Catalog No: AG001DB4 MDL No:MFCD00040968
Product Description
Catalog Number:
AG001DB4
Chemical Name:
Benzeneacetic acid, 2,3-difluoro-
CAS Number:
145689-41-4
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00040968
IUPAC Name:
2-(2,3-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
UXSQXUSJGPVOKT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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