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2855-08-5 | Butane, 1-chloro-3,3-dimethyl-
CAS No: 2855-08-5 Catalog No: AG002VPA MDL No:MFCD00018980
Product Description
Catalog Number:
AG002VPA
Chemical Name:
Butane, 1-chloro-3,3-dimethyl-
CAS Number:
2855-08-5
Molecular Formula:
C6H13Cl
Molecular Weight:
120.6204
MDL Number:
MFCD00018980
IUPAC Name:
1-chloro-3,3-dimethylbutane
InChI:
InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChI Key:
XGCKOSFYXBAPQM-UHFFFAOYSA-N
SMILES:
ClCCC(C)(C)C
EC Number:
220-665-2
NSC Number:
76580
Properties
Complexity:
42.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.071g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.62g/mol
Monoisotopic Mass:
120.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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