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65023-47-4 | Spiro[2H-benzimidazole-2,1'-cyclohexane], 5-nitro-
CAS No: 65023-47-4 Catalog No: AG00H6B7 MDL No:
Product Description
Catalog Number:
AG00H6B7
Chemical Name:
Spiro[2H-benzimidazole-2,1'-cyclohexane], 5-nitro-
CAS Number:
65023-47-4
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
5-nitrospiro[benzimidazole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H13N3O2/c16-15(17)9-4-5-10-11(8-9)14-12(13-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChI Key:
CLWXGQZDLFULEU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2=NC3(N=c2c1)CCCCC3
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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