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Home Nitriles 2,3-Dimethylbenzonitrile

2,3-Dimethylbenzonitrile

CAS No.:
5724-56-1
Catalog Number:
AG00E8NT
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$52
- +
5g
1 week
United States
$69
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Product Description
Catalog Number:
AG00E8NT
Chemical Name:
2,3-Dimethylbenzonitrile
CAS Number:
5724-56-1
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00019744
IUPAC Name:
2,3-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3
InChI Key:
ZEDPQIJYJCPIRM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C)C
EC Number:
227-229-0
UNII:
6S215F38OK
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Biotransformation of the antiretroviral drug etravirine: metabolite identification, reaction phenotyping, and characterization of autoinduction of cytochrome P450-dependent metabolism. Drug metabolism and disposition: the biological fate of chemicals 20120401
Properties