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10129-77-8 | Benzeneacetic acid, 2,4-dichloro-5-fluoro-
CAS No: 10129-77-8 Catalog No: AG00045U MDL No:MFCD01631383
Product Description
Catalog Number:
AG00045U
Chemical Name:
Benzeneacetic acid, 2,4-dichloro-5-fluoro-
CAS Number:
10129-77-8
Molecular Formula:
C8H5Cl2FO2
Molecular Weight:
223.0285
MDL Number:
MFCD01631383
IUPAC Name:
2-(2,4-dichloro-5-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H5Cl2FO2/c9-5-3-6(10)7(11)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChI Key:
LFLORXCBEGTRHI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)c(cc1Cl)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.024g/mol
Monoisotopic Mass:
221.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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