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Home Nitros 2-Chloro-6-nitrotoluene

2-Chloro-6-nitrotoluene

CAS No.:
83-42-1
Catalog Number:
AG00338Z
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00338Z
Chemical Name:
2-Chloro-6-nitrotoluene
CAS Number:
83-42-1
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007205
IUPAC Name:
1-chloro-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChI Key:
XCSNRORTQRKCHB-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cccc(c1C)Cl
EC Number:
201-475-9
UNII:
WEZ013857X
NSC Number:
49147
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:
3.1  
Literature
Title Journal
1-Chloro-2-methyl-3-nitro-benzene. Acta crystallographica. Section E, Structure reports online 20110301
Properties