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114506-04-6 | 2-Butene, 4-bromo-1-chloro-2-methyl-, (2E)-
CAS No: 114506-04-6 Catalog No: AG000ELI MDL No:
Product Description
Catalog Number:
AG000ELI
Chemical Name:
2-Butene, 4-bromo-1-chloro-2-methyl-, (2E)-
CAS Number:
114506-04-6
Molecular Formula:
C5H8BrCl
Molecular Weight:
183.4740
IUPAC Name:
(E)-4-bromo-1-chloro-2-methylbut-2-ene
InChI:
InChI=1S/C5H8BrCl/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2+
InChI Key:
KVRRYYFABPLXLQ-GORDUTHDSA-N
SMILES:
BrC/C=C(/CCl)\C
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
181.95g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.473g/mol
Monoisotopic Mass:
181.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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