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1261562-52-0 | Benzoic acid, 2-chloro-3,4-difluoro-, methyl ester
CAS No: 1261562-52-0 Catalog No: AG000RTZ MDL No:MFCD18417404
Product Description
Catalog Number:
AG000RTZ
Chemical Name:
Benzoic acid, 2-chloro-3,4-difluoro-, methyl ester
CAS Number:
1261562-52-0
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
MDL Number:
MFCD18417404
IUPAC Name:
methyl 2-chloro-3,4-difluorobenzoate
InChI:
InChI=1S/C8H5ClF2O2/c1-13-8(12)4-2-3-5(10)7(11)6(4)9/h2-3H,1H3
InChI Key:
OIEYNXFWROGHMB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(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:
0
Isotope Atom Count:
0
Molecular Weight:
206.573g/mol
Monoisotopic Mass:
205.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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