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2648-63-7 | Butane, 2,2-dichloro-3,3-dimethoxy-
CAS No: 2648-63-7 Catalog No: AG002TEG MDL No:
Product Description
Catalog Number:
AG002TEG
Chemical Name:
Butane, 2,2-dichloro-3,3-dimethoxy-
CAS Number:
2648-63-7
Molecular Formula:
C6H12Cl2O2
Molecular Weight:
187.0643
IUPAC Name:
2,2-dichloro-3,3-dimethoxybutane
InChI:
InChI=1S/C6H12Cl2O2/c1-5(7,8)6(2,9-3)10-4/h1-4H3
InChI Key:
WIZVYRUSNYJREP-UHFFFAOYSA-N
SMILES:
COC(C(Cl)(Cl)C)(OC)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:
186.021g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.06g/mol
Monoisotopic Mass:
186.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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