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951887-62-0 | 2-Bromo-3-[(3,4-ethylenedioxy)phenyl]-1-propene
CAS No: 951887-62-0 Catalog No: AG01EZQW MDL No:
Product Description
Catalog Number:
AG01EZQW
Chemical Name:
2-Bromo-3-[(3,4-ethylenedioxy)phenyl]-1-propene
CAS Number:
951887-62-0
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
6-(2-bromoprop-2-enyl)-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C11H11BrO2/c1-8(12)6-9-2-3-10-11(7-9)14-5-4-13-10/h2-3,7H,1,4-6H2
InChI Key:
MPGWYTZKSMBBMV-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1ccc2c(c1)OCCO2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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