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76330-06-8 | Benzaldehyde,2,6-dichloro-4-hydroxy-3,5-dimethoxy-
CAS No: 76330-06-8 Catalog No: AG0056E2 MDL No:
Product Description
Catalog Number:
AG0056E2
Chemical Name:
Benzaldehyde,2,6-dichloro-4-hydroxy-3,5-dimethoxy-
CAS Number:
76330-06-8
Molecular Formula:
C9H8Cl2O4
Molecular Weight:
251.0634
IUPAC Name:
2,6-dichloro-4-hydroxy-3,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H8Cl2O4/c1-14-8-5(10)4(3-12)6(11)9(15-2)7(8)13/h3,13H,1-2H3
InChI Key:
CTFRWEPMHUGVMM-UHFFFAOYSA-N
SMILES:
COc1c(O)c(OC)c(c(c1Cl)C=O)Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.059g/mol
Monoisotopic Mass:
249.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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