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83016-60-8 | 2,3,5,6-tetrachloro-4-hydroxybenzaldehyde
CAS No: 83016-60-8 Catalog No: AG004YGE MDL No:
Product Description
Catalog Number:
AG004YGE
Chemical Name:
2,3,5,6-tetrachloro-4-hydroxybenzaldehyde
CAS Number:
83016-60-8
Molecular Formula:
C7H2Cl4O2
Molecular Weight:
259.9016
IUPAC Name:
2,3,5,6-tetrachloro-4-hydroxybenzaldehyde
InChI:
InChI=1S/C7H2Cl4O2/c8-3-2(1-12)4(9)6(11)7(13)5(3)10/h1,13H
InChI Key:
ZIRMLCYOVCHSCE-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.878g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.891g/mol
Monoisotopic Mass:
257.881g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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