Home Nitriles (S)-4-Chloro-3-hydroxybutyronitrile

(S)-4-Chloro-3-hydroxybutyronitrile

CAS No.:
127913-44-4
Catalog Number:
AG000XKP
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$88
- +
Product Description
Catalog Number:
AG000XKP
Chemical Name:
(S)-4-Chloro-3-hydroxybutyronitrile
CAS Number:
127913-44-4
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
MDL Number:
MFCD00273363
IUPAC Name:
(3S)-4-chloro-3-hydroxybutanenitrile
InChI:
InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1
InChI Key:
LHBPNZDUNCZWFL-BYPYZUCNSA-N
SMILES:
O[C@H](CCl)CC#N
Properties
Complexity:
84.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties