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1187163-40-1 | Ethyl 5-(2-Chloro-5-pyridyl)-2-furoate
CAS No: 1187163-40-1 Catalog No: AG01FCJF MDL No:
Product Description
Catalog Number:
AG01FCJF
Chemical Name:
Ethyl 5-(2-Chloro-5-pyridyl)-2-furoate
CAS Number:
1187163-40-1
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
IUPAC Name:
ethyl 5-(6-chloropyridin-3-yl)furan-2-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-5-4-9(17-10)8-3-6-11(13)14-7-8/h3-7H,2H2,1H3
InChI Key:
BTEXKAFYEYGRPM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)c1ccc(nc1)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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