Home Halogens 4-bromobenzo[d][1,3]dioxole-5-carbaldehyde

4-bromobenzo[d][1,3]dioxole-5-carbaldehyde

CAS No.:
56008-63-0
Catalog Number:
AG00DJE4
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
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Product Description
Catalog Number:
AG00DJE4
Chemical Name:
4-bromobenzo[d][1,3]dioxole-5-carbaldehyde
CAS Number:
56008-63-0
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
MDL Number:
MFCD24387492
IUPAC Name:
4-bromo-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H5BrO3/c9-7-5(3-10)1-2-6-8(7)12-4-11-6/h1-3H,4H2
InChI Key:
QBVZVVIMRXNRKU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1Br)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