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Home > Nitro Compounds > 58751-62-5
58751-62-5 | 4-(2-nitrophenyl)butan-2-one
CAS No: 58751-62-5 Catalog No: AG019PRP MDL No:MFCD11655150
Product Description
Catalog Number:
AG019PRP
Chemical Name:
4-(2-nitrophenyl)butan-2-one
CAS Number:
58751-62-5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD11655150
IUPAC Name:
4-(2-nitrophenyl)butan-2-one
InChI:
InChI=1S/C10H11NO3/c1-8(12)6-7-9-4-2-3-5-10(9)11(13)14/h2-5H,6-7H2,1H3
InChI Key:
ZVNWPIWCTWRCHX-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
222
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:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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