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1571-88-6 | 1H-Benzimidazole, 2-(3-chlorophenyl)-6-nitro-
CAS No: 1571-88-6 Catalog No: AG001P8G MDL No:
Product Description
Catalog Number:
AG001P8G
Chemical Name:
1H-Benzimidazole, 2-(3-chlorophenyl)-6-nitro-
CAS Number:
1571-88-6
Molecular Formula:
C13H8ClN3O2
Molecular Weight:
273.6745
IUPAC Name:
2-(3-chlorophenyl)-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C13H8ClN3O2/c14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13/h1-7H,(H,15,16)
InChI Key:
OOQZMPRTANLIOC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.676g/mol
Monoisotopic Mass:
273.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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