Home Nitriles 4-Chloro-3-hydroxy butyronitrile

4-Chloro-3-hydroxy butyronitrile

CAS No.:
105-33-9
Catalog Number:
AG008R0P
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$260
- +
5g
95%
In Stock USA
United States
$766
- +
Product Description
Catalog Number:
AG008R0P
Chemical Name:
4-Chloro-3-hydroxy butyronitrile
CAS Number:
105-33-9
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
MDL Number:
MFCD07783068
IUPAC Name:
4-chloro-3-hydroxybutanenitrile
InChI:
InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2
InChI Key:
LHBPNZDUNCZWFL-UHFFFAOYSA-N
SMILES:
OC(CCl)CC#N
EC Number:
203-287-2
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:
1  
Isotope Atom Count:
0
Molecular Weight:
119.548g/mol
Monoisotopic Mass:
119.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
R-stereoselective amidase from Rhodococcus erythropolis No. 7 acting on 4-chloro-3-hydroxybutyramide. Journal of microbiology and biotechnology 20080301
Properties