Home Halogens 2-chloro-3-methoxypropanenitrile

2-chloro-3-methoxypropanenitrile

CAS No.:
31413-66-8
Catalog Number:
AG01A5U5
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
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Product Description
Catalog Number:
AG01A5U5
Chemical Name:
2-chloro-3-methoxypropanenitrile
CAS Number:
31413-66-8
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
MDL Number:
MFCD20623746
IUPAC Name:
2-chloro-3-methoxypropanenitrile
InChI:
InChI=1S/C4H6ClNO/c1-7-3-4(5)2-6/h4H,3H2,1H3
InChI Key:
SKEFUXLNRWANKT-UHFFFAOYSA-N
SMILES:
COCC(C#N)Cl
Properties
Complexity:
84.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.014g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.548g/mol
Monoisotopic Mass:
119.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties