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5997-52-4 | 2-(4-ISOPROPYLPHENYL)BENZO[D]OXAZOLE
CAS No: 5997-52-4 Catalog No: AG00EINC MDL No:
Product Description
Catalog Number:
AG00EINC
Chemical Name:
2-(4-ISOPROPYLPHENYL)BENZO[D]OXAZOLE
CAS Number:
5997-52-4
IUPAC Name:
2-(4-propan-2-ylphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C16H15NO/c1-11(2)12-7-9-13(10-8-12)16-17-14-5-3-4-6-15(14)18-16/h3-11H,1-2H3
InChI Key:
GAAAORVCBLUEKN-UHFFFAOYSA-N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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