Home Halogens 1-chloro-3,3-dimethylbutan-2-ol

1-chloro-3,3-dimethylbutan-2-ol

CAS No.:
36402-31-0
Catalog Number:
AG01B8RJ
Molecular Formula:
C6H13ClO
Molecular Weight:
136.6198
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Product Description
Catalog Number:
AG01B8RJ
Chemical Name:
1-chloro-3,3-dimethylbutan-2-ol
CAS Number:
36402-31-0
Molecular Formula:
C6H13ClO
Molecular Weight:
136.6198
MDL Number:
MFCD19232584
IUPAC Name:
1-chloro-3,3-dimethylbutan-2-ol
InChI:
InChI=1S/C6H13ClO/c1-6(2,3)5(8)4-7/h5,8H,4H2,1-3H3
InChI Key:
RAZKFVKCTUWXHO-UHFFFAOYSA-N
SMILES:
ClCC(C(C)(C)C)O
Properties
Complexity:
65.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.065g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.619g/mol
Monoisotopic Mass:
136.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties