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56961-75-2 | 2,3,5-Trichlorobenzaldehyde
CAS No: 56961-75-2 Catalog No: AG00328U MDL No:MFCD00010860
Product Description
Catalog Number:
AG00328U
Chemical Name:
2,3,5-Trichlorobenzaldehyde
CAS Number:
56961-75-2
Molecular Formula:
C7H3Cl3O
Molecular Weight:
209.4571
MDL Number:
MFCD00010860
IUPAC Name:
2,3,5-trichlorobenzaldehyde
InChI:
InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
InChI Key:
DJYRZTCLVDKWBL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)cc(c1Cl)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.925g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.45g/mol
Monoisotopic Mass:
207.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| (2E)-1-(4-Methyl-phen-yl)-3-(2,3,5-trichloro-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20080101 |
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