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Home Nitriles 2-Methyl-5-nitrobenzonitrile

2-Methyl-5-nitrobenzonitrile

CAS No.:
939-83-3
Catalog Number:
AG003HNO
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003HNO
Chemical Name:
2-Methyl-5-nitrobenzonitrile
CAS Number:
939-83-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00017040
IUPAC Name:
2-methyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChI Key:
XOSDYLFXPMFRGF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C)N(=O)=O
NSC Number:
507493
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole. Acta crystallographica. Section E, Structure reports online 20081001
2-Methyl-5-nitro-benzonitrile. Acta crystallographica. Section E, Structure reports online 20080601
Properties