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Home Nitros 2-Chloro-4-nitrotoluene

2-Chloro-4-nitrotoluene

CAS No.:
121-86-8
Catalog Number:
AG003B76
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG003B76
Chemical Name:
2-Chloro-4-nitrotoluene
CAS Number:
121-86-8
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007210
IUPAC Name:
2-chloro-1-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChI Key:
LLYXJBROWQDVMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)Cl)C
EC Number:
204-501-7
UNII:
9T26LNR6T8
NSC Number:
60111
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601
Properties