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Home > Nitro Compounds > 1363664-87-2
1363664-87-2 | 3-(4-Nitrophenyl)cyclohexan-1-one
CAS No: 1363664-87-2 Catalog No: AG00HULN MDL No:
Product Description
Catalog Number:
AG00HULN
Chemical Name:
3-(4-Nitrophenyl)cyclohexan-1-one
CAS Number:
1363664-87-2
IUPAC Name:
3-(4-nitrophenyl)cyclohexan-1-one
InChI:
InChI=1S/C12H13NO3/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h4-7,10H,1-3,8H2
InChI Key:
XFZRVESZXNYATJ-UHFFFAOYSA-N
Properties
Complexity:
277
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:
2.2
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