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87874-18-8 | 2-Furancarboxamide, N-2-benzothiazolyl-
CAS No: 87874-18-8 Catalog No: AG004G3C MDL No:MFCD00596030
Product Description
Catalog Number:
AG004G3C
Chemical Name:
2-Furancarboxamide, N-2-benzothiazolyl-
CAS Number:
87874-18-8
Molecular Formula:
C12H8N2O2S
Molecular Weight:
244.2691
MDL Number:
MFCD00596030
IUPAC Name:
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
InChI:
InChI=1S/C12H8N2O2S/c15-11(9-5-3-7-16-9)14-12-13-8-4-1-2-6-10(8)17-12/h1-7H,(H,13,14,15)
InChI Key:
IEHMTXRMAOBNOS-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)Nc1nc2c(s1)cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.268g/mol
Monoisotopic Mass:
244.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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