Home Halogens 2-chloro-3,4-dimethylbenzonitrile

2-chloro-3,4-dimethylbenzonitrile

CAS No.:
67648-14-0
Catalog Number:
AG01A1BT
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A1BT
Chemical Name:
2-chloro-3,4-dimethylbenzonitrile
CAS Number:
67648-14-0
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
MDL Number:
MFCD23701772
IUPAC Name:
2-chloro-3,4-dimethylbenzonitrile
InChI:
InChI=1S/C9H8ClN/c1-6-3-4-8(5-11)9(10)7(6)2/h3-4H,1-2H3
InChI Key:
WWDIRBYVEKTAHG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1Cl)C)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.62g/mol
Monoisotopic Mass:
165.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties