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Home > Nitro Compounds > 68614-38-0
68614-38-0 | Cyclohexanone, 2-(2-nitrophenyl)-
CAS No: 68614-38-0 Catalog No: AG006IBN MDL No:
Product Description
Catalog Number:
AG006IBN
Chemical Name:
Cyclohexanone, 2-(2-nitrophenyl)-
CAS Number:
68614-38-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-(2-nitrophenyl)cyclohexan-1-one
InChI:
InChI=1S/C12H13NO3/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1,3,5,7,10H,2,4,6,8H2
InChI Key:
MHJXBMOMTPJQBF-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1ccccc1[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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