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1187170-28-0 | Ethyl 5-(Pyrimidin-5-yl)thiophene-2-carboxylate
CAS No: 1187170-28-0 Catalog No: AG01F9QF MDL No:
Product Description
Catalog Number:
AG01F9QF
Chemical Name:
Ethyl 5-(Pyrimidin-5-yl)thiophene-2-carboxylate
CAS Number:
1187170-28-0
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
ethyl 5-pyrimidin-5-ylthiophene-2-carboxylate
InChI:
InChI=1S/C11H10N2O2S/c1-2-15-11(14)10-4-3-9(16-10)8-5-12-7-13-6-8/h3-7H,2H2,1H3
InChI Key:
OKAUXOMOMSHUTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)c1cncnc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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