200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 939-83-3
939-83-3 | 2-Methyl-5-Nitrobenzonitrile
CAS No: 939-83-3 Catalog No: AG003HNO MDL No:MFCD00017040
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.