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1465326-89-9 | Benzoic acid, 3,5-dichloro-4-formyl-, methyl ester
CAS No: 1465326-89-9 Catalog No: AG001E3A MDL No:
Product Description
Catalog Number:
AG001E3A
Chemical Name:
Benzoic acid, 3,5-dichloro-4-formyl-, methyl ester
CAS Number:
1465326-89-9
Molecular Formula:
C9H6Cl2O3
Molecular Weight:
233.0481
IUPAC Name:
methyl 3,5-dichloro-4-formylbenzoate
InChI:
InChI=1S/C9H6Cl2O3/c1-14-9(13)5-2-7(10)6(4-12)8(11)3-5/h2-4H,1H3
InChI Key:
PZMMESDUAFUZSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)Cl)C=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.044g/mol
Monoisotopic Mass:
231.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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