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632301-31-6 | 5-nitro-1-(1-phenylethyl)-1H-benzimidazole
CAS No: 632301-31-6 Catalog No: AG00JGXJ MDL No:MFCD03765680
Product Description
Catalog Number:
AG00JGXJ
Chemical Name:
5-nitro-1-(1-phenylethyl)-1H-benzimidazole
CAS Number:
632301-31-6
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD03765680
IUPAC Name:
5-nitro-1-(1-phenylethyl)benzimidazole
InChI:
InChI=1S/C15H13N3O2/c1-11(12-5-3-2-4-6-12)17-10-16-14-9-13(18(19)20)7-8-15(14)17/h2-11H,1H3
InChI Key:
IWGVZBKCNAMNAE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2C(c1ccccc1)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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