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1171918-85-6 | 3-Pyridinecarboxylic acid, 5-chloro-6-fluoro-, methyl ester
CAS No: 1171918-85-6 Catalog No: AG000DW7 MDL No:MFCD12498696
Product Description
Catalog Number:
AG000DW7
Chemical Name:
3-Pyridinecarboxylic acid, 5-chloro-6-fluoro-, methyl ester
CAS Number:
1171918-85-6
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD12498696
IUPAC Name:
methyl 5-chloro-6-fluoropyridine-3-carboxylate
InChI:
InChI=1S/C7H5ClFNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChI Key:
CBLBXPUJKGKFPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)Cl)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.57g/mol
Monoisotopic Mass:
188.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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