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71501-31-0 | Benzamide,2-chloro-4-nitro-N-phenyl-
CAS No: 71501-31-0 Catalog No: AG005HOR MDL No:
Product Description
Catalog Number:
AG005HOR
Chemical Name:
Benzamide,2-chloro-4-nitro-N-phenyl-
CAS Number:
71501-31-0
Molecular Formula:
C13H9ClN2O3
Molecular Weight:
276.6752
IUPAC Name:
2-chloro-4-nitro-N-phenylbenzamide
InChI:
InChI=1S/C13H9ClN2O3/c14-12-8-10(16(18)19)6-7-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChI Key:
HKFKBQGYOFOVFH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)[N+](=O)[O-])Nc1ccccc1
EC Number:
275-560-4
NSC Number:
158651
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.676g/mol
Monoisotopic Mass:
276.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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