Home Halogens 5-bromo-6-methyl-1,3-benzodioxole

5-bromo-6-methyl-1,3-benzodioxole

CAS No.:
5025-53-6
Catalog Number:
AG00DQQD
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
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Product Description
Catalog Number:
AG00DQQD
Chemical Name:
5-bromo-6-methyl-1,3-benzodioxole
CAS Number:
5025-53-6
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD00016643
IUPAC Name:
5-bromo-6-methyl-1,3-benzodioxole
InChI:
InChI=1S/C8H7BrO2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-3H,4H2,1H3
InChI Key:
COXSGYIDZGDCAR-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc2cc1C
EC Number:
225-712-0
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties