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89182-27-4 | 1,3-Butadiene, 1,1-dichloro-2-methyl-
CAS No: 89182-27-4 Catalog No: AG003WKX MDL No:
Product Description
Catalog Number:
AG003WKX
Chemical Name:
1,3-Butadiene, 1,1-dichloro-2-methyl-
CAS Number:
89182-27-4
Molecular Formula:
C5H6Cl2
Molecular Weight:
137.0071
IUPAC Name:
1,1-dichloro-2-methylbuta-1,3-diene
InChI:
InChI=1S/C5H6Cl2/c1-3-4(2)5(6)7/h3H,1H2,2H3
InChI Key:
GUWMWOIPQGUEBX-UHFFFAOYSA-N
SMILES:
C=CC(=C(Cl)Cl)C
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.985g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.003g/mol
Monoisotopic Mass:
135.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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