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113731-27-4

113731-27-4 | 4H-1,3-Benzodioxin, 5-(2,2-dibromoethenyl)-2,2-dimethyl-

CAS No: 113731-27-4 Catalog No: AG0009GY MDL No:

Product Description

Catalog Number:
AG0009GY
Chemical Name:
4H-1,3-Benzodioxin, 5-(2,2-dibromoethenyl)-2,2-dimethyl-
CAS Number:
113731-27-4
Molecular Formula:
C12H12Br2O2
Molecular Weight:
348.0305
IUPAC Name:
5-(2,2-dibromoethenyl)-2,2-dimethyl-4H-1,3-benzodioxine
InChI:
InChI=1S/C12H12Br2O2/c1-12(2)15-7-9-8(6-11(13)14)4-3-5-10(9)16-12/h3-6H,7H2,1-2H3
InChI Key:
XDOKYRNMFWRCOM-UHFFFAOYSA-N
SMILES:
BrC(=Cc1cccc2c1COC(O2)(C)C)Br

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.918g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.034g/mol
Monoisotopic Mass:
345.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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