Home Nitriles 2-(2,5-Dimethylphenyl)acetonitrile

2-(2,5-Dimethylphenyl)acetonitrile

CAS No.:
16213-85-7
Catalog Number:
AG001SSJ
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$110
- +
5g
98%
In Stock USA
United States
$154
- +
10g
98%
In Stock USA
United States
$201
- +
Product Description
Catalog Number:
AG001SSJ
Chemical Name:
2-(2,5-Dimethylphenyl)acetonitrile
CAS Number:
16213-85-7
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00013816
IUPAC Name:
2-(2,5-dimethylphenyl)acetonitrile
InChI:
InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
InChI Key:
HCELORQTHSKCQL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC#N)C
EC Number:
240-339-3
UNII:
ULT00P22MN
NSC Number:
85352
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties