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72744-55-9 | 6-Bromobenzo[d][1,3]dioxole-4-carbaldehyde
CAS No: 72744-55-9 Catalog No: AG0062DB MDL No:
Product Description
Catalog Number:
AG0062DB
Chemical Name:
6-Bromobenzo[d][1,3]dioxole-4-carbaldehyde
CAS Number:
72744-55-9
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
IUPAC Name:
6-bromo-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C8H5BrO3/c9-6-1-5(3-10)8-7(2-6)11-4-12-8/h1-3H,4H2
InChI Key:
GSUMLIBYYGBVMW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc2c1OCO2
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
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