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148836-24-2 | Oxazole, 2-(2-bromophenyl)-4,5-dihydro-4-(1-methylethyl)-, (4S)-
CAS No: 148836-24-2 Catalog No: AG001L8T MDL No:
Product Description
Catalog Number:
AG001L8T
Chemical Name:
Oxazole, 2-(2-bromophenyl)-4,5-dihydro-4-(1-methylethyl)-, (4S)-
CAS Number:
148836-24-2
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
IUPAC Name:
(4S)-2-(2-bromophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C12H14BrNO/c1-8(2)11-7-15-12(14-11)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m1/s1
InChI Key:
HVCLJUVMOVVZBS-LLVKDONJSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1Br)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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