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101905-24-2 | Benzoic acid, 4-chloro-, (4-nitrobenzoyl)azanyl ester
CAS No: 101905-24-2 Catalog No: AG0005WO MDL No:
Product Description
Catalog Number:
AG0005WO
Chemical Name:
Benzoic acid, 4-chloro-, (4-nitrobenzoyl)azanyl ester
CAS Number:
101905-24-2
Molecular Formula:
C14H9ClN2O5
Molecular Weight:
320.6847
IUPAC Name:
[(4-nitrobenzoyl)amino] 4-chlorobenzoate
InChI:
InChI=1S/C14H9ClN2O5/c15-11-5-1-10(2-6-11)14(19)22-16-13(18)9-3-7-12(8-4-9)17(20)21/h1-8H,(H,16,18)
InChI Key:
GBMXJESXECGOHQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)ONC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
87291
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.02g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.685g/mol
Monoisotopic Mass:
320.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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