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1253383-90-2 | 3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-6-methyl-, methyl ester
CAS No: 1253383-90-2 Catalog No: AG000NHU MDL No:MFCD28252200
Product Description
Catalog Number:
AG000NHU
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-6-methyl-, methyl ester
CAS Number:
1253383-90-2
Molecular Formula:
C8H7ClFNO2
Molecular Weight:
203.5981
MDL Number:
MFCD28252200
IUPAC Name:
methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H7ClFNO2/c1-4-6(10)3-5(7(9)11-4)8(12)13-2/h3H,1-2H3
InChI Key:
AARWZYFWYNJHOQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(nc1Cl)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.597g/mol
Monoisotopic Mass:
203.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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