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951892-99-2 | 2-Bromo-3-(3,4,5-trimethoxyphenyl)-1-propene
CAS No: 951892-99-2 Catalog No: AG01F020 MDL No:
Product Description
Catalog Number:
AG01F020
Chemical Name:
2-Bromo-3-(3,4,5-trimethoxyphenyl)-1-propene
CAS Number:
951892-99-2
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
5-(2-bromoprop-2-enyl)-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C12H15BrO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-7H,1,5H2,2-4H3
InChI Key:
PUQZWNKKMPFZCU-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=C)Br)cc(c1OC)OC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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