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440680-51-3 | 1,4-dichloro-2,2-dimethylbutane
CAS No: 440680-51-3 Catalog No: AG0032MS MDL No:
Product Description
Catalog Number:
AG0032MS
Chemical Name:
1,4-dichloro-2,2-dimethylbutane
CAS Number:
440680-51-3
Molecular Formula:
C6H12Cl2
Molecular Weight:
155.0655
IUPAC Name:
1,4-dichloro-2,2-dimethylbutane
InChI:
InChI=1S/C6H12Cl2/c1-6(2,5-8)3-4-7/h3-5H2,1-2H3
InChI Key:
KMPYOUUNAVKBPY-UHFFFAOYSA-N
SMILES:
ClCCC(CCl)(C)C
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.062g/mol
Monoisotopic Mass:
154.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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