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Home > Nitro Compounds > 96784-58-6
96784-58-6 | Ethanone, 1-(3-methyl-4-nitrophenyl)-
CAS No: 96784-58-6 Catalog No: AG00IJUY MDL No:
Product Description
Catalog Number:
AG00IJUY
Chemical Name:
Ethanone, 1-(3-methyl-4-nitrophenyl)-
CAS Number:
96784-58-6
IUPAC Name:
1-(3-methyl-4-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO3/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5H,1-2H3
InChI Key:
GBMJKHBPSNGUNH-UHFFFAOYSA-N
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:
2.5
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