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951891-87-5 | 2-Bromo-4-(2,5-dimethylphenyl)-1-butene
CAS No: 951891-87-5 Catalog No: AG01EZZ9 MDL No:
Product Description
Catalog Number:
AG01EZZ9
Chemical Name:
2-Bromo-4-(2,5-dimethylphenyl)-1-butene
CAS Number:
951891-87-5
Molecular Formula:
C12H15Br
Molecular Weight:
239.1515
IUPAC Name:
2-(3-bromobut-3-enyl)-1,4-dimethylbenzene
InChI:
InChI=1S/C12H15Br/c1-9-4-5-10(2)12(8-9)7-6-11(3)13/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
PFLVYMITVWFOTB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CCC(=C)Br)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.156g/mol
Monoisotopic Mass:
238.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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