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1256826-55-7 | 3-Pyridinecarboxylic acid, 4-chloro-2-methoxy-, methyl ester
CAS No: 1256826-55-7 Catalog No: AG000OGO MDL No:MFCD18257740
Product Description
Catalog Number:
AG000OGO
Chemical Name:
3-Pyridinecarboxylic acid, 4-chloro-2-methoxy-, methyl ester
CAS Number:
1256826-55-7
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD18257740
IUPAC Name:
methyl 4-chloro-2-methoxypyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO3/c1-12-7-6(8(11)13-2)5(9)3-4-10-7/h3-4H,1-2H3
InChI Key:
QGZHMVMVSJXJTL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)ccnc1OC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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