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Home > Nitro Compounds > 85355-52-8
85355-52-8 | 2-Butanone, 3-(2-nitrophenyl)-
CAS No: 85355-52-8 Catalog No: AG004L74 MDL No:
Product Description
Catalog Number:
AG004L74
Chemical Name:
2-Butanone, 3-(2-nitrophenyl)-
CAS Number:
85355-52-8
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
3-(2-nitrophenyl)butan-2-one
InChI:
InChI=1S/C10H11NO3/c1-7(8(2)12)9-5-3-4-6-10(9)11(13)14/h3-7H,1-2H3
InChI Key:
FXOLJUQGXQXLJJ-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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