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823795-98-8 | Oxazole, 4,5-dihydro-2-(4-iodophenyl)-4-(1-methylethyl)-, (4S)-
CAS No: 823795-98-8 Catalog No: AG004Y8U MDL No:
Product Description
Catalog Number:
AG004Y8U
Chemical Name:
Oxazole, 4,5-dihydro-2-(4-iodophenyl)-4-(1-methylethyl)-, (4S)-
CAS Number:
823795-98-8
Molecular Formula:
C12H14INO
Molecular Weight:
315.1501
IUPAC Name:
(4S)-2-(4-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C12H14INO/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3/t11-/m1/s1
InChI Key:
ORVGIMLLWMQTPF-LLVKDONJSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccc(cc1)I)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.154g/mol
Monoisotopic Mass:
315.012g/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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