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1823914-28-8 | Benzamide, 4-(3-isoxazolyl)-
CAS No: 1823914-28-8 Catalog No: AG0023S7 MDL No:
Product Description
Catalog Number:
AG0023S7
Chemical Name:
Benzamide, 4-(3-isoxazolyl)-
CAS Number:
1823914-28-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
4-(1,2-oxazol-3-yl)benzamide
InChI:
InChI=1S/C10H8N2O2/c11-10(13)8-3-1-7(2-4-8)9-5-6-14-12-9/h1-6H,(H2,11,13)
InChI Key:
ATOXZPXPAYNDSB-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)c1nocc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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