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1218994-35-4 | 3-Pyridinecarboxylic acid, 2,4,6-trichloro-, methyl ester
CAS No: 1218994-35-4 Catalog No: AG0016CS MDL No:MFCD21604740
Product Description
Catalog Number:
AG0016CS
Chemical Name:
3-Pyridinecarboxylic acid, 2,4,6-trichloro-, methyl ester
CAS Number:
1218994-35-4
Molecular Formula:
C7H4Cl3NO2
Molecular Weight:
240.4712
MDL Number:
MFCD21604740
IUPAC Name:
methyl 2,4,6-trichloropyridine-3-carboxylate
InChI:
InChI=1S/C7H4Cl3NO2/c1-13-7(12)5-3(8)2-4(9)11-6(5)10/h2H,1H3
InChI Key:
RRAISDXHCRPYTQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)cc(nc1Cl)Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.931g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.464g/mol
Monoisotopic Mass:
238.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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