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Home > Nitro Compounds > 124289-22-1

124289-22-1

124289-22-1 | Benzonitrile, 3-methyl-5-nitro-

CAS No: 124289-22-1 Catalog No: AG000LT0 MDL No:MFCD17170423

Product Description

Catalog Number:
AG000LT0
Chemical Name:
Benzonitrile, 3-methyl-5-nitro-
CAS Number:
124289-22-1
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD17170423
IUPAC Name:
3-methyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,1H3
InChI Key:
WEWBXIHWZDLYSN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)[N+](=O)[O-]

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:
1.8  

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