sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 4'-Methyl-3'-nitroacetophenone

4'-Methyl-3'-nitroacetophenone

CAS No.:
5333-27-7
Catalog Number:
AG003LQN
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$50
- +
25g
95%
In Stock USA
United States
$169
- +
100g
95%
In Stock USA
United States
$494
- +
Product Description
Catalog Number:
AG003LQN
Chemical Name:
4'-Methyl-3'-nitroacetophenone
CAS Number:
5333-27-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00033858
IUPAC Name:
1-(4-methyl-3-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5H,1-2H3
InChI Key:
YRBBMDOBWRUMEZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)C(=O)C
NSC Number:
617
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:
2.1  
Literature
Title Journal
Orthogonal photocleavage of a monochromophoric linker. Journal of the American Chemical Society 20100825
Properties