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192775-97-6 | Oxazole, 2-[1-(4-bromophenyl)-1-methylethyl]-4,5-dihydro-4,4-dimethyl-
CAS No: 192775-97-6 Catalog No: AG002GAU MDL No:MFCD07700229
Product Description
Catalog Number:
AG002GAU
Chemical Name:
Oxazole, 2-[1-(4-bromophenyl)-1-methylethyl]-4,5-dihydro-4,4-dimethyl-
CAS Number:
192775-97-6
Molecular Formula:
C14H18BrNO
Molecular Weight:
296.2028
MDL Number:
MFCD07700229
IUPAC Name:
2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C14H18BrNO/c1-13(2)9-17-12(16-13)14(3,4)10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
GEFJHFNKORGOKH-UHFFFAOYSA-N
SMILES:
CC(C1=NC(CO1)(C)C)(c1ccc(cc1)Br)C
EC Number:
606-283-2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.208g/mol
Monoisotopic Mass:
295.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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