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20222-26-8 | Propanenitrile, 2-chloro-3-hydroxy-
CAS No: 20222-26-8 Catalog No: AG00284X MDL No:
Product Description
Catalog Number:
AG00284X
Chemical Name:
Propanenitrile, 2-chloro-3-hydroxy-
CAS Number:
20222-26-8
Molecular Formula:
C3H4ClNO
Molecular Weight:
105.5230
IUPAC Name:
2-chloro-3-hydroxypropanenitrile
InChI:
InChI=1S/C3H4ClNO/c4-3(1-5)2-6/h3,6H,2H2
InChI Key:
LICPTSGXNNYNSH-UHFFFAOYSA-N
SMILES:
OCC(C#N)Cl
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.998g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
105.521g/mol
Monoisotopic Mass:
104.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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