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88135-09-5 | Cyclopentanol, 2-(2-nitro-1H-imidazol-1-yl)-
CAS No: 88135-09-5 Catalog No: AG004DH0 MDL No:
Product Description
Catalog Number:
AG004DH0
Chemical Name:
Cyclopentanol, 2-(2-nitro-1H-imidazol-1-yl)-
CAS Number:
88135-09-5
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
2-(2-nitroimidazol-1-yl)cyclopentan-1-ol
InChI:
InChI=1S/C8H11N3O3/c12-7-3-1-2-6(7)10-5-4-9-8(10)11(13)14/h4-7,12H,1-3H2
InChI Key:
CNNLTFHCFGWEMT-UHFFFAOYSA-N
SMILES:
OC1CCCC1n1ccnc1[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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