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56961-76-3 | 3,4,5-trichlorobenzaldehyde
CAS No: 56961-76-3 Catalog No: AG00392I MDL No:MFCD18400105
Product Description
Catalog Number:
AG00392I
Chemical Name:
3,4,5-trichlorobenzaldehyde
CAS Number:
56961-76-3
Molecular Formula:
C7H3Cl3O
Molecular Weight:
209.4571
MDL Number:
MFCD18400105
IUPAC Name:
3,4,5-trichlorobenzaldehyde
InChI:
InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChI Key:
GHMOHPITLLRUAC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
139
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:
3.5
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