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232275-56-8 | Benzoic acid, 2,6-dichloro-4-fluoro-, methyl ester
CAS No: 232275-56-8 Catalog No: AG002MKG MDL No:MFCD23135661
Product Description
Catalog Number:
AG002MKG
Chemical Name:
Benzoic acid, 2,6-dichloro-4-fluoro-, methyl ester
CAS Number:
232275-56-8
Molecular Formula:
C8H5Cl2FO2
Molecular Weight:
223.0285
MDL Number:
MFCD23135661
IUPAC Name:
methyl 2,6-dichloro-4-fluorobenzoate
InChI:
InChI=1S/C8H5Cl2FO2/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3H,1H3
InChI Key:
OZQKPZQUPFKGIF-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)cc(cc1Cl)F
Properties
Complexity:
189
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:
2.9
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