Home Nitros 1,4-Dimethyl-2-nitrobenzene

1,4-Dimethyl-2-nitrobenzene

CAS No.:
89-58-7
Catalog Number:
AG003XOE
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$23
- +
100g
98%
In Stock USA
United States
$62
- +
Product Description
Catalog Number:
AG003XOE
Chemical Name:
1,4-Dimethyl-2-nitrobenzene
CAS Number:
89-58-7
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00024284
IUPAC Name:
1,4-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3
InChI Key:
BSFHJMGROOFSRA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])C
EC Number:
201-920-7
UNII:
H2AU67681F
NSC Number:
5591
UN Number:
1665
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and characterization of nitro-p-xylenes. Molecules (Basel, Switzerland) 20050831
Properties