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1200498-40-3 | 2-Pyridinecarboxylic acid, 5-chloro-3-fluoro-, methyl ester
CAS No: 1200498-40-3 Catalog No: AG000Q6K MDL No:
Product Description
Catalog Number:
AG000Q6K
Chemical Name:
2-Pyridinecarboxylic acid, 5-chloro-3-fluoro-, methyl ester
CAS Number:
1200498-40-3
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
IUPAC Name:
methyl 5-chloro-3-fluoropyridine-2-carboxylate
InChI:
InChI=1S/C7H5ClFNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3
InChI Key:
CSCZOWZTTGYYRE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1F)Cl
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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