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Home > Nitro Compounds > 75473-11-9
75473-11-9 | 1-(2-Methyl-3-nitrophenyl)ethanone
CAS No: 75473-11-9 Catalog No: AG005BGA MDL No:MFCD08704280
Product Description
Catalog Number:
AG005BGA
Chemical Name:
1-(2-Methyl-3-nitrophenyl)ethanone
CAS Number:
75473-11-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD08704280
IUPAC Name:
1-(2-methyl-3-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO3/c1-6-8(7(2)11)4-3-5-9(6)10(12)13/h3-5H,1-2H3
InChI Key:
HPQVXLJSJCOYFE-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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