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125553-66-4 | Benzoic acid, 3,4-dichloro-, 2-acetylphenyl ester
CAS No: 125553-66-4 Catalog No: AG000NUV MDL No:
Product Description
Catalog Number:
AG000NUV
Chemical Name:
Benzoic acid, 3,4-dichloro-, 2-acetylphenyl ester
CAS Number:
125553-66-4
Molecular Formula:
C15H10Cl2O3
Molecular Weight:
309.1441
IUPAC Name:
(2-acetylphenyl) 3,4-dichlorobenzoate
InChI:
InChI=1S/C15H10Cl2O3/c1-9(18)11-4-2-3-5-14(11)20-15(19)10-6-7-12(16)13(17)8-10/h2-8H,1H3
InChI Key:
SSBSLEQIJAIFDQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)Cl)Cl)Oc1ccccc1C(=O)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.001g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.142g/mol
Monoisotopic Mass:
308.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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