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101236-98-0 | 1H-Benzimidazole, 2-[(4-chlorophenoxy)methyl]-7-nitro-
CAS No: 101236-98-0 Catalog No: AG00040F MDL No:
Product Description
Catalog Number:
AG00040F
Chemical Name:
1H-Benzimidazole, 2-[(4-chlorophenoxy)methyl]-7-nitro-
CAS Number:
101236-98-0
Molecular Formula:
C14H10ClN3O3
Molecular Weight:
303.7005
IUPAC Name:
2-[(4-chlorophenoxy)methyl]-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C14H10ClN3O3/c15-9-4-6-10(7-5-9)21-8-13-16-11-2-1-3-12(18(19)20)14(11)17-13/h1-7H,8H2,(H,16,17)
InChI Key:
GFUKFOJLEYBIGZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCc1nc2c([nH]1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.702g/mol
Monoisotopic Mass:
303.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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