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150357-72-5 | 1,3-Benzodioxole, 5-[(1Z)-2-bromoethenyl]-
CAS No: 150357-72-5 Catalog No: AG001MKB MDL No:
Product Description
Catalog Number:
AG001MKB
Chemical Name:
1,3-Benzodioxole, 5-[(1Z)-2-bromoethenyl]-
CAS Number:
150357-72-5
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
IUPAC Name:
5-(2-bromoethenyl)-1,3-benzodioxole
InChI:
InChI=1S/C9H7BrO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-5H,6H2
InChI Key:
SVXOJPBBVAQCRW-UHFFFAOYSA-N
SMILES:
Br/C=C\c1ccc2c(c1)OCO2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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