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52648-78-9 | Cyclohexanone, 2-(4-nitrophenyl)-
CAS No: 52648-78-9 Catalog No: AG00I9F3 MDL No:
Product Description
Catalog Number:
AG00I9F3
Chemical Name:
Cyclohexanone, 2-(4-nitrophenyl)-
CAS Number:
52648-78-9
IUPAC Name:
2-(4-nitrophenyl)cyclohexan-1-one
InChI:
InChI=1S/C12H13NO3/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h5-8,11H,1-4H2
InChI Key:
FUKJIPWYXHNEPY-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:
2.5
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