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83016-58-4 | 2,3,5-trichloro-4-hydroxybenzaldehyde
CAS No: 83016-58-4 Catalog No: AG004YGF MDL No:
Product Description
Catalog Number:
AG004YGF
Chemical Name:
2,3,5-trichloro-4-hydroxybenzaldehyde
CAS Number:
83016-58-4
Molecular Formula:
C7H3Cl3O2
Molecular Weight:
225.4565
IUPAC Name:
2,3,5-trichloro-4-hydroxybenzaldehyde
InChI:
InChI=1S/C7H3Cl3O2/c8-4-1-3(2-11)5(9)6(10)7(4)12/h1-2,12H
InChI Key:
RMALQPIXPZHWJE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(c(c1Cl)Cl)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.449g/mol
Monoisotopic Mass:
223.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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