Home Halogens Butanoyl chloride, 4-chloro-2,2-dimethyl-

Butanoyl chloride, 4-chloro-2,2-dimethyl-

CAS No.:
53840-39-4
Catalog Number:
AG00I9LX
Molecular Formula:
C6H10Cl2O
Molecular Weight:
169.0490
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Product Description
Catalog Number:
AG00I9LX
Chemical Name:
Butanoyl chloride, 4-chloro-2,2-dimethyl-
CAS Number:
53840-39-4
Molecular Formula:
C6H10Cl2O
Molecular Weight:
169.0490
IUPAC Name:
4-chloro-2,2-dimethylbutanoyl chloride
InChI:
InChI=1S/C6H10Cl2O/c1-6(2,3-4-7)5(8)9/h3-4H2,1-2H3
InChI Key:
GGYSDFKHZYXXII-UHFFFAOYSA-N
SMILES:
ClCCC(C(=O)Cl)(C)C
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.045g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties