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890100-49-9 | 2-CHLORO-3-(5-ETHOXYCARBONYL-2-THENOYL)PYRIDINE
CAS No: 890100-49-9 Catalog No: AG0044NI MDL No:
Product Description
Catalog Number:
AG0044NI
Chemical Name:
2-CHLORO-3-(5-ETHOXYCARBONYL-2-THENOYL)PYRIDINE
CAS Number:
890100-49-9
Molecular Formula:
C13H10ClNO3S
Molecular Weight:
295.7414
IUPAC Name:
ethyl 5-(2-chloropyridine-3-carbonyl)thiophene-2-carboxylate
InChI:
InChI=1S/C13H10ClNO3S/c1-2-18-13(17)10-6-5-9(19-10)11(16)8-4-3-7-15-12(8)14/h3-7H,2H2,1H3
InChI Key:
IBKZUXHYWFOQNZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)C(=O)c1cccnc1Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.737g/mol
Monoisotopic Mass:
295.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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