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89109-56-8 | Benzenecarboximidoyl chloride, N-[(4-nitrobenzoyl)oxy]-
CAS No: 89109-56-8 Catalog No: AG003YFZ MDL No:
Product Description
Catalog Number:
AG003YFZ
Chemical Name:
Benzenecarboximidoyl chloride, N-[(4-nitrobenzoyl)oxy]-
CAS Number:
89109-56-8
Molecular Formula:
C14H9ClN2O4
Molecular Weight:
304.6853
IUPAC Name:
[[chloro(phenyl)methylidene]amino] 4-nitrobenzoate
InChI:
InChI=1S/C14H9ClN2O4/c15-13(10-4-2-1-3-5-10)16-21-14(18)11-6-8-12(9-7-11)17(19)20/h1-9H
InChI Key:
XUOUJOCXECNNBY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])ON=C(c1ccccc1)Cl
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.686g/mol
Monoisotopic Mass:
304.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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