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105184-38-1 | 3,5-Difluorophenylacetic acid
CAS No: 105184-38-1 Catalog No: AG003IN2 MDL No:MFCD00010316
Product Description
Catalog Number:
AG003IN2
Chemical Name:
3,5-Difluorophenylacetic acid
CAS Number:
105184-38-1
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00010316
IUPAC Name:
2-(3,5-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChI Key:
IGGNSAVLXJKCNH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)cc(c1)F
Properties
Complexity:
162
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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