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79839-49-9 | 2-Bromoisophthalaldehyde
CAS No: 79839-49-9 Catalog No: AG003GRI MDL No:MFCD08461034
Product Description
Catalog Number:
AG003GRI
Chemical Name:
2-Bromoisophthalaldehyde
CAS Number:
79839-49-9
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD08461034
IUPAC Name:
2-bromobenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
InChI Key:
RZUSSKMZLHKMHU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Br)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.947g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.03g/mol
Monoisotopic Mass:
211.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| A convenient new synthesis of benzo[a]pyrene. | The Journal of organic chemistry 20040220 |
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