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1255917-95-3 | 2-Pyridinecarboxylic acid, 4-chloro-3-methoxy-, methyl ester
CAS No: 1255917-95-3 Catalog No: AG000NX6 MDL No:MFCD18257735
Product Description
Catalog Number:
AG000NX6
Chemical Name:
2-Pyridinecarboxylic acid, 4-chloro-3-methoxy-, methyl ester
CAS Number:
1255917-95-3
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD18257735
IUPAC Name:
methyl 4-chloro-3-methoxypyridine-2-carboxylate
InChI:
InChI=1S/C8H8ClNO3/c1-12-7-5(9)3-4-10-6(7)8(11)13-2/h3-4H,1-2H3
InChI Key:
CELZHNZCMFLCEH-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(c1OC)Cl
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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