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88226-91-9 | 1-Butene, 4,4-dichloro-3-methyl-
CAS No: 88226-91-9 Catalog No: AG004D14 MDL No:
Product Description
Catalog Number:
AG004D14
Chemical Name:
1-Butene, 4,4-dichloro-3-methyl-
CAS Number:
88226-91-9
Molecular Formula:
C5H8Cl2
Molecular Weight:
139.0230
IUPAC Name:
4,4-dichloro-3-methylbut-1-ene
InChI:
InChI=1S/C5H8Cl2/c1-3-4(2)5(6)7/h3-5H,1H2,2H3
InChI Key:
FQKJYZHLMHBKPB-UHFFFAOYSA-N
SMILES:
C=CC(C(Cl)Cl)C
Properties
Complexity:
59.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.019g/mol
Monoisotopic Mass:
138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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