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791809-62-6

791809-62-6 | 2-(3-bromophenyl)malondialdehyde

CAS No: 791809-62-6 Catalog No: AG005LCB MDL No:MFCD03426047

Product Description

Catalog Number:
AG005LCB
Chemical Name:
2-(3-bromophenyl)malondialdehyde
CAS Number:
791809-62-6
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD03426047
IUPAC Name:
2-(3-bromophenyl)propanedial
InChI:
InChI=1S/C9H7BrO2/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-6,8H
InChI Key:
VTBBNWPPNCLEMB-UHFFFAOYSA-N
SMILES:
O=CC(c1cccc(c1)Br)C=O

Properties

Complexity:
162  
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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