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Home Other Building Blocks 2-Chloro-2-Methylbutane

2-Chloro-2-Methylbutane

CAS No.:
594-36-5
Catalog Number:
AG003B6T
Molecular Formula:
C5H11Cl
Molecular Weight:
106.5938
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Product Description
Catalog Number:
AG003B6T
Chemical Name:
2-Chloro-2-Methylbutane
CAS Number:
594-36-5
Molecular Formula:
C5H11Cl
Molecular Weight:
106.5938
MDL Number:
MFCD00000818
IUPAC Name:
2-chloro-2-methylbutane
InChI:
InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3
InChI Key:
CRNIHJHMEQZAAS-UHFFFAOYSA-N
SMILES:
CCC(Cl)(C)C
EC Number:
209-836-2
NSC Number:
7900
Properties
Complexity:
39.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.055g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.593g/mol
Monoisotopic Mass:
106.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group. The journal of physical chemistry. A 20100930
The influence of carbon-carbon multiple bonds on the solvolyses of tertiary alkyl halides: A Grunwald-Winstein analysis. International journal of molecular sciences 20080901
Properties