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128902-50-1 | Benzene, [(1E)-4-bromo-1-methyl-1-buten-1-yl]-
CAS No: 128902-50-1 Catalog No: AG000YHA MDL No:
Product Description
Catalog Number:
AG000YHA
Chemical Name:
Benzene, [(1E)-4-bromo-1-methyl-1-buten-1-yl]-
CAS Number:
128902-50-1
Molecular Formula:
C11H13Br
Molecular Weight:
225.1249
IUPAC Name:
5-bromopent-2-en-2-ylbenzene
InChI:
InChI=1S/C11H13Br/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3
InChI Key:
QXCDKFHIJUHTFG-UHFFFAOYSA-N
SMILES:
BrCC/C=C(/c1ccccc1)\C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.129g/mol
Monoisotopic Mass:
224.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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