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88019-62-9 | Benzoic acid, 3-chloro-4-hydroxy-, 2-chloro-4-fluorophenyl ester
CAS No: 88019-62-9 Catalog No: AG004GKP MDL No:
Product Description
Catalog Number:
AG004GKP
Chemical Name:
Benzoic acid, 3-chloro-4-hydroxy-, 2-chloro-4-fluorophenyl ester
CAS Number:
88019-62-9
Molecular Formula:
C13H7Cl2FO3
Molecular Weight:
301.0973
IUPAC Name:
(2-chloro-4-fluorophenyl) 3-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C13H7Cl2FO3/c14-9-5-7(1-3-11(9)17)13(18)19-12-4-2-8(16)6-10(12)15/h1-6,17H
InChI Key:
RGOLYHFKXRLMSW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)OC(=O)c1ccc(c(c1)Cl)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.976g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.094g/mol
Monoisotopic Mass:
299.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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