200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 16213-85-7
16213-85-7 | Benzeneacetonitrile, 2,5-dimethyl-
CAS No: 16213-85-7 Catalog No: AG001SSJ MDL No:MFCD00013816
Product Description
Catalog Number:
AG001SSJ
Chemical Name:
Benzeneacetonitrile, 2,5-dimethyl-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.