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87161-04-4 | 3-Hexene, 3-bromo-4-chloro-, (E)-
CAS No: 87161-04-4 Catalog No: AG004KE5 MDL No:
Product Description
Catalog Number:
AG004KE5
Chemical Name:
3-Hexene, 3-bromo-4-chloro-, (E)-
CAS Number:
87161-04-4
Molecular Formula:
C6H10BrCl
Molecular Weight:
197.5006
IUPAC Name:
3-bromo-4-chlorohex-3-ene
InChI:
InChI=1S/C6H10BrCl/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChI Key:
QFZYTSSMFFQTHS-UHFFFAOYSA-N
SMILES:
CC/C(=C(/CC)\Cl)/Br
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.5g/mol
Monoisotopic Mass:
195.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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