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Home > Nitro Compounds > 111922-99-7
111922-99-7 | 1-Hexanone, 1-(4-nitrophenyl)-
CAS No: 111922-99-7 Catalog No: AG00HC74 MDL No:
Product Description
Catalog Number:
AG00HC74
Chemical Name:
1-Hexanone, 1-(4-nitrophenyl)-
CAS Number:
111922-99-7
IUPAC Name:
1-(4-nitrophenyl)hexan-1-one
InChI:
InChI=1S/C12H15NO3/c1-2-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16/h6-9H,2-5H2,1H3
InChI Key:
PDMPLOWEZXVKNP-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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