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1231952-70-7 | Thiazolo[5,4-b]pyridine-6-carboxylic acid, 2-(2-nitrophenyl)-, methyl ester
CAS No: 1231952-70-7 Catalog No: AG000K50 MDL No:
Product Description
Catalog Number:
AG000K50
Chemical Name:
Thiazolo[5,4-b]pyridine-6-carboxylic acid, 2-(2-nitrophenyl)-, methyl ester
CAS Number:
1231952-70-7
Molecular Formula:
C14H9N3O4S
Molecular Weight:
315.3040
IUPAC Name:
methyl 2-(2-nitrophenyl)-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
InChI:
InChI=1S/C14H9N3O4S/c1-21-14(18)8-6-10-13(15-7-8)22-12(16-10)9-4-2-3-5-11(9)17(19)20/h2-7H,1H3
InChI Key:
WFLXUFDHSBPKPX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)nc(s2)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.303g/mol
Monoisotopic Mass:
315.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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