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36437-19-1 | 2-CHLOROMALONALDEHYDE
CAS No: 36437-19-1 Catalog No: AG00339D MDL No:MFCD01320489
Product Description
Catalog Number:
AG00339D
Chemical Name:
2-CHLOROMALONALDEHYDE
CAS Number:
36437-19-1
Molecular Formula:
C3H3ClO2
Molecular Weight:
106.5077
MDL Number:
MFCD01320489
IUPAC Name:
2-chloropropanedial
InChI:
InChI=1S/C3H3ClO2/c4-3(1-5)2-6/h1-3H
InChI Key:
KTRZQCIGJUWSGE-UHFFFAOYSA-N
SMILES:
O=CC(C=O)Cl
Properties
Complexity:
53.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.982g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.505g/mol
Monoisotopic Mass:
105.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| 5-Chloro-pyrimidin-2-amine. | Acta crystallographica. Section E, Structure reports online 20091101 |
| Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: an ab initio study of time-resolved photoelectron spectra. | The Journal of chemical physics 20070207 |
| Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde: wave-packet dynamics on effective potential surfaces of reduced dimensionality. | The Journal of chemical physics 20060421 |
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