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773139-84-7 | Benzamide,3-chloro-N-(4-cyano-3-methyl-5-isoxazolyl)-
CAS No: 773139-84-7 Catalog No: AG00547L MDL No:
Product Description
Catalog Number:
AG00547L
Chemical Name:
Benzamide,3-chloro-N-(4-cyano-3-methyl-5-isoxazolyl)-
CAS Number:
773139-84-7
Molecular Formula:
C12H8ClN3O2
Molecular Weight:
261.6638
IUPAC Name:
3-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
InChI:
InChI=1S/C12H8ClN3O2/c1-7-10(6-14)12(18-16-7)15-11(17)8-3-2-4-9(13)5-8/h2-5H,1H3,(H,15,17)
InChI Key:
GVUOVZUOPLAOLY-UHFFFAOYSA-N
SMILES:
N#Cc1c(onc1C)NC(=O)c1cccc(c1)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.665g/mol
Monoisotopic Mass:
261.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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