Name: Name:tert-butyl 5-Methyl-3-phenylisoxazole-4-carboxylate
Brand: Angene
SKU: AG00BF4Y
Rating: 90 (10 reviews)

tert-butyl 5-Methyl-3-phenylisoxazole-4-carboxylate

CAS No.:

211429-79-7

Catalog Number:

AG00BF4Y

Molecular Formula:

C15H17NO3

Molecular Weight:

259.3004

Catalog Number:

AG00BF4Y

Chemical Name:

tert-butyl 5-Methyl-3-phenylisoxazole-4-carboxylate

CAS Number:

211429-79-7

Molecular Formula:

C15H17NO3

Molecular Weight:

259.3004

MDL Number:

MFCD18207136

IUPAC Name:

tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

InChI:

InChI=1S/C15H17NO3/c1-10-12(14(17)18-15(2,3)4)13(16-19-10)11-8-6-5-7-9-11/h5-9H,1-4H3

InChI Key:

NKPHWOZLEFNJGK-UHFFFAOYSA-N

SMILES:

O=C(c1c(C)onc1c1ccccc1)OC(C)(C)C

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.305g/mol

Monoisotopic Mass:

259.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3