Home Halogens 1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-

1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-

CAS No.:
19522-96-4
Catalog Number:
AG00I3DC
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00I3DC
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-
CAS Number:
19522-96-4
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
MDL Number:
MFCD00128258
IUPAC Name:
7-bromo-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H5BrO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2
InChI Key:
LFWAGNRBILVLBC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c2c(c1)OCO2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.942g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.029g/mol
Monoisotopic Mass:
227.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties