Home Nitros 1-(2-methyl-6-nitrophenyl)ethan-1-one

1-(2-methyl-6-nitrophenyl)ethan-1-one

CAS No.:
4127-55-3
Catalog Number:
AG01AFSL
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AFSL
Chemical Name:
1-(2-methyl-6-nitrophenyl)ethan-1-one
CAS Number:
4127-55-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD18431418
IUPAC Name:
1-(2-methyl-6-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO3/c1-6-4-3-5-8(10(12)13)9(6)7(2)11/h3-5H,1-2H3
InChI Key:
OKABSSBMRAWDFQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(=O)C)C
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  
Properties