Home Nitriles 3-Chloro-2-methylpropionitrile

3-Chloro-2-methylpropionitrile

CAS No.:
7659-45-2
Catalog Number:
AG003J7C
Molecular Formula:
C4H6ClN
Molecular Weight:
103.5501
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$87
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Product Description
Catalog Number:
AG003J7C
Chemical Name:
3-Chloro-2-methylpropionitrile
CAS Number:
7659-45-2
Molecular Formula:
C4H6ClN
Molecular Weight:
103.5501
MDL Number:
MFCD00001874
IUPAC Name:
3-chloro-2-methylpropanenitrile
InChI:
InChI=1S/C4H6ClN/c1-4(2-5)3-6/h4H,2H2,1H3
InChI Key:
XXZVBSPSFVERCB-UHFFFAOYSA-N
SMILES:
CC(C#N)CCl
EC Number:
231-624-3
NSC Number:
97379
Properties
Complexity:
70.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.019g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.549g/mol
Monoisotopic Mass:
103.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties