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81479-48-3 | Carbamic acid, [5-(1,1-dimethylethyl)-3-isoxazolyl]-, phenyl ester
CAS No: 81479-48-3 Catalog No: AG0052BF MDL No:
Product Description
Catalog Number:
AG0052BF
Chemical Name:
Carbamic acid, [5-(1,1-dimethylethyl)-3-isoxazolyl]-, phenyl ester
CAS Number:
81479-48-3
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
InChI:
InChI=1S/C14H16N2O3/c1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16,17)
InChI Key:
FGUDMROYDQCCNY-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1noc(c1)C(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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