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80687-89-4 | 2-Butene, 2-bromo-3-chloro-, (E)-
CAS No: 80687-89-4 Catalog No: AG005JXL MDL No:
Product Description
Catalog Number:
AG005JXL
Chemical Name:
2-Butene, 2-bromo-3-chloro-, (E)-
CAS Number:
80687-89-4
Molecular Formula:
C4H6BrCl
Molecular Weight:
169.4474
IUPAC Name:
2-bromo-3-chlorobut-2-ene
InChI:
InChI=1S/C4H6BrCl/c1-3(5)4(2)6/h1-2H3
InChI Key:
RQBDCNJQWARGOU-UHFFFAOYSA-N
SMILES:
C/C(=C(\Cl)/C)/Br
Properties
Complexity:
75.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.934g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.446g/mol
Monoisotopic Mass:
167.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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