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88135-10-8 | Cyclohexanol, 2-(2-nitro-1H-imidazol-1-yl)-
CAS No: 88135-10-8 Catalog No: AG004HSG MDL No:
Product Description
Catalog Number:
AG004HSG
Chemical Name:
Cyclohexanol, 2-(2-nitro-1H-imidazol-1-yl)-
CAS Number:
88135-10-8
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
IUPAC Name:
2-(2-nitroimidazol-1-yl)cyclohexan-1-ol
InChI:
InChI=1S/C9H13N3O3/c13-8-4-2-1-3-7(8)11-6-5-10-9(11)12(14)15/h5-8,13H,1-4H2
InChI Key:
FVWJVXXCYNKFFF-UHFFFAOYSA-N
SMILES:
OC1CCCCC1n1ccnc1[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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