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1225380-37-9 | 1H-Pyrrole-3-carboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-, methyl ester
CAS No: 1225380-37-9 Catalog No: AG0017F7 MDL No:
Product Description
Catalog Number:
AG0017F7
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-, methyl ester
CAS Number:
1225380-37-9
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
methyl 1-[(6-chloropyridin-3-yl)methyl]-5-methylpyrrole-3-carboxylate
InChI:
InChI=1S/C13H13ClN2O2/c1-9-5-11(13(17)18-2)8-16(9)7-10-3-4-12(14)15-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
FKQCBGJOBWIWCH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(c(c1)C)Cc1ccc(nc1)Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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