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709648-68-0 | 2-(4-Bromophenyl)malonaldehyde
CAS No: 709648-68-0 Catalog No: AG005FK6 MDL No:MFCD02261895
Product Description
Catalog Number:
AG005FK6
Chemical Name:
2-(4-Bromophenyl)malonaldehyde
CAS Number:
709648-68-0
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD02261895
IUPAC Name:
2-(4-bromophenyl)propanedial
InChI:
InChI=1S/C9H7BrO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
InChI Key:
PRLAEKVWSOXWMG-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)Br)C=O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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