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828939-62-4 | Isoxazole, 4,5-dihydro-5-methyl-3-phenyl-5-[(phenylseleno)methyl]-
CAS No: 828939-62-4 Catalog No: AG004RNT MDL No:
Product Description
Catalog Number:
AG004RNT
Chemical Name:
Isoxazole, 4,5-dihydro-5-methyl-3-phenyl-5-[(phenylseleno)methyl]-
CAS Number:
828939-62-4
Molecular Formula:
C17H17NOSe
Molecular Weight:
330.2830
IUPAC Name:
5-methyl-3-phenyl-5-(phenylselanylmethyl)-4H-1,2-oxazole
InChI:
InChI=1S/C17H17NOSe/c1-17(13-20-15-10-6-3-7-11-15)12-16(18-19-17)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChI Key:
JRQLCONUTPMRNL-UHFFFAOYSA-N
SMILES:
CC1(C[Se]c2ccccc2)ON=C(C1)c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.3g/mol
Monoisotopic Mass:
331.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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