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1261598-59-7 | Benzeneacetic acid, 2-chloro-3,4-difluoro-
CAS No: 1261598-59-7 Catalog No: AG000RVK MDL No:MFCD18415635
Product Description
Catalog Number:
AG000RVK
Chemical Name:
Benzeneacetic acid, 2-chloro-3,4-difluoro-
CAS Number:
1261598-59-7
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
MDL Number:
MFCD18415635
IUPAC Name:
2-(2-chloro-3,4-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H5ClF2O2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3H2,(H,12,13)
InChI Key:
PVABAIILZJYXBE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1Cl)F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.573g/mol
Monoisotopic Mass:
205.995g/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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