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197805-26-8 | 1,3-Benzodioxole, 5-(2-bromo-2-propen-1-yl)-
CAS No: 197805-26-8 Catalog No: AG002B1N MDL No:
Product Description
Catalog Number:
AG002B1N
Chemical Name:
1,3-Benzodioxole, 5-(2-bromo-2-propen-1-yl)-
CAS Number:
197805-26-8
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
IUPAC Name:
5-(2-bromoprop-2-enyl)-1,3-benzodioxole
InChI:
InChI=1S/C10H9BrO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,1,4,6H2
InChI Key:
QQMSHFDVPCBVQN-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1ccc2c(c1)OCO2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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