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Home > Aldehydes > 160431-96-9
160431-96-9 | Benzaldehyde, 2,6-dichloro-3-hydroxy-4-methoxy-
CAS No: 160431-96-9 Catalog No: AG001RWI MDL No:
Product Description
Catalog Number:
AG001RWI
Chemical Name:
Benzaldehyde, 2,6-dichloro-3-hydroxy-4-methoxy-
CAS Number:
160431-96-9
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
IUPAC Name:
2,6-dichloro-3-hydroxy-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H6Cl2O3/c1-13-6-2-5(9)4(3-11)7(10)8(6)12/h2-3,12H,1H3
InChI Key:
RVBGIRHZGQOTFB-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c(c1O)Cl)C=O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.033g/mol
Monoisotopic Mass:
219.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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