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260047-13-0 | N-(4-chlorophenyl)-3,5-dimethylisoxazole-4-carboxamide
CAS No: 260047-13-0 Catalog No: AG01CB2N MDL No:MFCD00794383
Product Description
Catalog Number:
AG01CB2N
Chemical Name:
N-(4-chlorophenyl)-3,5-dimethylisoxazole-4-carboxamide
CAS Number:
260047-13-0
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
MDL Number:
MFCD00794383
IUPAC Name:
N-(4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C12H11ClN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16)
InChI Key:
BVNIGKWLVKDHGL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)c1c(C)noc1C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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