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951889-96-6 | 2-Bromo-4-(4-ethoxyphenyl)-1-butene
CAS No: 951889-96-6 Catalog No: AG01EZUO MDL No:
Product Description
Catalog Number:
AG01EZUO
Chemical Name:
2-Bromo-4-(4-ethoxyphenyl)-1-butene
CAS Number:
951889-96-6
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
1-(3-bromobut-3-enyl)-4-ethoxybenzene
InChI:
InChI=1S/C12H15BrO/c1-3-14-12-8-6-11(7-9-12)5-4-10(2)13/h6-9H,2-5H2,1H3
InChI Key:
NRWFOVDGLHUIGU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)CCC(=C)Br
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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