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1261802-94-1 | Benzoic acid, 5-chloro-2,4-difluoro-, methyl ester
CAS No: 1261802-94-1 Catalog No: AG000S19 MDL No:MFCD18417407
Product Description
Catalog Number:
AG000S19
Chemical Name:
Benzoic acid, 5-chloro-2,4-difluoro-, methyl ester
CAS Number:
1261802-94-1
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
MDL Number:
MFCD18417407
IUPAC Name:
methyl 5-chloro-2,4-difluorobenzoate
InChI:
InChI=1S/C8H5ClF2O2/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3H,1H3
InChI Key:
XYMSJOLPHIRLNX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1F)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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