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87149-85-7 | Benzamide, N-(3-formyl-4-isoxazolyl)-
CAS No: 87149-85-7 Catalog No: AG004OBQ MDL No:
Product Description
Catalog Number:
AG004OBQ
Chemical Name:
Benzamide, N-(3-formyl-4-isoxazolyl)-
CAS Number:
87149-85-7
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
IUPAC Name:
N-(3-formyl-1,2-oxazol-4-yl)benzamide
InChI:
InChI=1S/C11H8N2O3/c14-6-9-10(7-16-13-9)12-11(15)8-4-2-1-3-5-8/h1-7H,(H,12,15)
InChI Key:
YNRCSYMDOFVHQJ-UHFFFAOYSA-N
SMILES:
O=Cc1nocc1NC(=O)c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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