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519016-96-7 | 1-cyclohexyl-5-nitro-1H-benzimidazole
CAS No: 519016-96-7 Catalog No: AG00JGXC MDL No:MFCD02609569
Product Description
Catalog Number:
AG00JGXC
Chemical Name:
1-cyclohexyl-5-nitro-1H-benzimidazole
CAS Number:
519016-96-7
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD02609569
IUPAC Name:
1-cyclohexyl-5-nitrobenzimidazole
InChI:
InChI=1S/C13H15N3O2/c17-16(18)11-6-7-13-12(8-11)14-9-15(13)10-4-2-1-3-5-10/h6-10H,1-5H2
InChI Key:
XIMIESMDRDHIGT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2C1CCCCC1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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