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828939-54-4 | Isoxazole, 4,5-dihydro-3-(4-methylphenyl)-5-[(phenylseleno)methyl]-
CAS No: 828939-54-4 Catalog No: AG004VC8 MDL No:
Product Description
Catalog Number:
AG004VC8
Chemical Name:
Isoxazole, 4,5-dihydro-3-(4-methylphenyl)-5-[(phenylseleno)methyl]-
CAS Number:
828939-54-4
Molecular Formula:
C17H17NOSe
Molecular Weight:
330.2830
IUPAC Name:
3-(4-methylphenyl)-5-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C17H17NOSe/c1-13-7-9-14(10-8-13)17-11-15(19-18-17)12-20-16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3
InChI Key:
ZJPHTCLTRXWYJU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=NOC(C1)C[Se]c1ccccc1
Properties
Complexity:
330
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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