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853994-49-7 | Benzamide, 4-chloro-N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-
CAS No: 853994-49-7 Catalog No: AG004KDA MDL No:
Product Description
Catalog Number:
AG004KDA
Chemical Name:
Benzamide, 4-chloro-N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-
CAS Number:
853994-49-7
Molecular Formula:
C14H15ClN2O2
Molecular Weight:
278.7341
IUPAC Name:
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-chlorobenzamide
InChI:
InChI=1S/C14H15ClN2O2/c1-14(2,3)11-8-12(17-19-11)16-13(18)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,17,18)
InChI Key:
LNJSLXRFHRTBEF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Nc1noc(c1)C(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.736g/mol
Monoisotopic Mass:
278.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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