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951891-01-3 | 2-Bromo-4-(2,3-dimethoxyphenyl)-1-butene
CAS No: 951891-01-3 Catalog No: AG01EZWY MDL No:
Product Description
Catalog Number:
AG01EZWY
Chemical Name:
2-Bromo-4-(2,3-dimethoxyphenyl)-1-butene
CAS Number:
951891-01-3
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
IUPAC Name:
1-(3-bromobut-3-enyl)-2,3-dimethoxybenzene
InChI:
InChI=1S/C12H15BrO2/c1-9(13)7-8-10-5-4-6-11(14-2)12(10)15-3/h4-6H,1,7-8H2,2-3H3
InChI Key:
GYWFFAJWDLDNQT-UHFFFAOYSA-N
SMILES:
COc1c(CCC(=C)Br)cccc1OC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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