Home Halogens 4-chloro-2-hydroxy-3,3-dimethylbutanenitrile

4-chloro-2-hydroxy-3,3-dimethylbutanenitrile

CAS No.:
1384430-53-8
Catalog Number:
AG019U1K
Molecular Formula:
C6H10ClNO
Molecular Weight:
147.6027
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Product Description
Catalog Number:
AG019U1K
Chemical Name:
4-chloro-2-hydroxy-3,3-dimethylbutanenitrile
CAS Number:
1384430-53-8
Molecular Formula:
C6H10ClNO
Molecular Weight:
147.6027
MDL Number:
MFCD22370013
IUPAC Name:
4-chloro-2-hydroxy-3,3-dimethylbutanenitrile
InChI:
InChI=1S/C6H10ClNO/c1-6(2,4-7)5(9)3-8/h5,9H,4H2,1-2H3
InChI Key:
UTRSMSHVIDVBLM-UHFFFAOYSA-N
SMILES:
ClCC(C(C#N)O)(C)C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.602g/mol
Monoisotopic Mass:
147.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties