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88599-63-7 | Benzoic acid, 2-[(aminocarbonyl)oxy]-5-chloro-, 4-chlorophenyl ester
CAS No: 88599-63-7 Catalog No: AG004AQQ MDL No:
Product Description
Catalog Number:
AG004AQQ
Chemical Name:
Benzoic acid, 2-[(aminocarbonyl)oxy]-5-chloro-, 4-chlorophenyl ester
CAS Number:
88599-63-7
Molecular Formula:
C14H9Cl2NO4
Molecular Weight:
326.1316
IUPAC Name:
(4-chlorophenyl) 2-carbamoyloxy-5-chlorobenzoate
InChI:
InChI=1S/C14H9Cl2NO4/c15-8-1-4-10(5-2-8)20-13(18)11-7-9(16)3-6-12(11)21-14(17)19/h1-7H,(H2,17,19)
InChI Key:
XXOQIYTTZOKASB-UHFFFAOYSA-N
SMILES:
NC(=O)Oc1ccc(cc1C(=O)Oc1ccc(cc1)Cl)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.991g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.129g/mol
Monoisotopic Mass:
324.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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