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951892-29-8 | 2-Bromo-4-(3,5-dimethylphenyl)-1-butene
CAS No: 951892-29-8 Catalog No: AG01F009 MDL No:
Product Description
Catalog Number:
AG01F009
Chemical Name:
2-Bromo-4-(3,5-dimethylphenyl)-1-butene
CAS Number:
951892-29-8
Molecular Formula:
C12H15Br
Molecular Weight:
239.1515
IUPAC Name:
1-(3-bromobut-3-enyl)-3,5-dimethylbenzene
InChI:
InChI=1S/C12H15Br/c1-9-6-10(2)8-12(7-9)5-4-11(3)13/h6-8H,3-5H2,1-2H3
InChI Key:
PWJNUIMJMNYNAF-UHFFFAOYSA-N
SMILES:
BrC(=C)CCc1cc(C)cc(c1)C
Properties
Complexity:
164
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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