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14565-22-1 | Benzeneacetaldehyde, 3,5-dichloro-2-methoxy-α,6-dimethyl-
CAS No: 14565-22-1 Catalog No: AG001D97 MDL No:
Product Description
Catalog Number:
AG001D97
Chemical Name:
Benzeneacetaldehyde, 3,5-dichloro-2-methoxy-α,6-dimethyl-
CAS Number:
14565-22-1
Molecular Formula:
C11H12Cl2O2
Molecular Weight:
247.1178
IUPAC Name:
2-(3,5-dichloro-2-methoxy-6-methylphenyl)propanal
InChI:
InChI=1S/C11H12Cl2O2/c1-6(5-14)10-7(2)8(12)4-9(13)11(10)15-3/h4-6H,1-3H3
InChI Key:
XMCYVBSLDSSHJX-UHFFFAOYSA-N
SMILES:
O=CC(c1c(C)c(Cl)cc(c1OC)Cl)C
NSC Number:
115786
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.115g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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