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2072-24-4 | Benzamide, N-(4-chloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-
CAS No: 2072-24-4 Catalog No: AG002IW4 MDL No:
Product Description
Catalog Number:
AG002IW4
Chemical Name:
Benzamide, N-(4-chloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-
CAS Number:
2072-24-4
Molecular Formula:
C13H8ClNO3
Molecular Weight:
261.6605
IUPAC Name:
N-(4-chloro-3,6-dioxocyclohexa-1,4-dien-1-yl)benzamide
InChI:
InChI=1S/C13H8ClNO3/c14-9-6-12(17)10(7-11(9)16)15-13(18)8-4-2-1-3-5-8/h1-7H,(H,15,18)
InChI Key:
DJCOJIIODFCFDZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC1=CC(=O)C(=CC1=O)Cl
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.661g/mol
Monoisotopic Mass:
261.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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