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67746-81-0 | N-(2-CHLORO-4-NITROPHENYL)-N-METHYL-1H-IMIDAZOLE-1-CARBOXAMIDE
CAS No: 67746-81-0 Catalog No: AG0063F9 MDL No:
Product Description
Catalog Number:
AG0063F9
Chemical Name:
N-(2-CHLORO-4-NITROPHENYL)-N-METHYL-1H-IMIDAZOLE-1-CARBOXAMIDE
CAS Number:
67746-81-0
Molecular Formula:
C11H9ClN4O3
Molecular Weight:
280.6672
IUPAC Name:
N-(2-chloro-4-nitrophenyl)-N-methylimidazole-1-carboxamide
InChI:
InChI=1S/C11H9ClN4O3/c1-14(11(17)15-5-4-13-7-15)10-3-2-8(16(18)19)6-9(10)12/h2-7H,1H3
InChI Key:
HFJXMBCRGCBLJS-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1N(C(=O)n1cncc1)C)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.668g/mol
Monoisotopic Mass:
280.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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