Home Nitros 1-(5-Methyl-2-nitrophenyl)ethanone

1-(5-Methyl-2-nitrophenyl)ethanone

CAS No.:
69976-70-1
Catalog Number:
AG0039GY
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$124
- +
10g
95%
In Stock USA
United States
$782
- +
Product Description
Catalog Number:
AG0039GY
Chemical Name:
1-(5-Methyl-2-nitrophenyl)ethanone
CAS Number:
69976-70-1
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD11046202
IUPAC Name:
1-(5-methyl-2-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO3/c1-6-3-4-9(10(12)13)8(5-6)7(2)11/h3-5H,1-2H3
InChI Key:
QTVGOWDJTGISJG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)C)[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:
1.6  
Properties