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849021-34-7 | 2-Benzoxazoleethanol, a-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 849021-34-7 Catalog No: AG008FWX MDL No:MFCD03426055
Product Description
Catalog Number:
AG008FWX
Chemical Name:
2-Benzoxazoleethanol, a-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
849021-34-7
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
MDL Number:
MFCD03426055
IUPAC Name:
2-(1,3-benzoxazol-2-yl)-1-(4-tert-butylphenyl)ethanol
InChI:
InChI=1S/C19H21NO2/c1-19(2,3)14-10-8-13(9-11-14)16(21)12-18-20-15-6-4-5-7-17(15)22-18/h4-11,16,21H,12H2,1-3H3
InChI Key:
YWDAXHITZJHBQM-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)C(C)(C)C)Cc1nc2c(o1)cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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