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14625-61-7 | 1H-Benzimidazole, 2-methyl-5-nitro-1-phenyl-
CAS No: 14625-61-7 Catalog No: AG001DTQ MDL No:
Product Description
Catalog Number:
AG001DTQ
Chemical Name:
1H-Benzimidazole, 2-methyl-5-nitro-1-phenyl-
CAS Number:
14625-61-7
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
2-methyl-5-nitro-1-phenylbenzimidazole
InChI:
InChI=1S/C14H11N3O2/c1-10-15-13-9-12(17(18)19)7-8-14(13)16(10)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
MMLFSPCXFZSZIT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n2c1ccccc1)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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