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1000930-44-8 | N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-cyanoacetamide
CAS No: 1000930-44-8 Catalog No: AG019KGZ MDL No:MFCD09802040
Product Description
Catalog Number:
AG019KGZ
Chemical Name:
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-cyanoacetamide
CAS Number:
1000930-44-8
Molecular Formula:
C16H11N3O2
Molecular Weight:
277.2774
MDL Number:
MFCD09802040
IUPAC Name:
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-cyanoacetamide
InChI:
InChI=1S/C16H11N3O2/c17-10-9-15(20)18-12-7-5-11(6-8-12)16-19-13-3-1-2-4-14(13)21-16/h1-8H,9H2,(H,18,20)
InChI Key:
CKYRQJRRSLNKEI-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.283g/mol
Monoisotopic Mass:
277.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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