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128800-56-6 | Benzoic acid, 2,4-dichloro-5-fluoro-, methyl ester
CAS No: 128800-56-6 Catalog No: AG000YEG MDL No:
Product Description
Catalog Number:
AG000YEG
Chemical Name:
Benzoic acid, 2,4-dichloro-5-fluoro-, methyl ester
CAS Number:
128800-56-6
Molecular Formula:
C8H5Cl2FO2
Molecular Weight:
223.0285
IUPAC Name:
methyl 2,4-dichloro-5-fluorobenzoate
InChI:
InChI=1S/C8H5Cl2FO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,1H3
InChI Key:
DOGWJTCXQCCQBY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(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:
0
Isotope Atom Count:
0
Molecular Weight:
223.024g/mol
Monoisotopic Mass:
221.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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