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17448-55-4 | Benzene, [(1R,2S)-2-nitrocyclohexyl]-, rel-
CAS No: 17448-55-4 Catalog No: AG001ZOU MDL No:
Product Description
Catalog Number:
AG001ZOU
Chemical Name:
Benzene, [(1R,2S)-2-nitrocyclohexyl]-, rel-
CAS Number:
17448-55-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
[(1S,2R)-2-nitrocyclohexyl]benzene
InChI:
InChI=1S/C12H15NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+/m0/s1
InChI Key:
JPUJWHOKGSAARG-NWDGAFQWSA-N
SMILES:
[O-][N+](=O)[C@H]1CCCC[C@@H]1c1ccccc1
NSC Number:
86510
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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