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111836-60-3 | Benzoxazole, 2-(3,4-dihydro-2-naphthalenyl)-
CAS No: 111836-60-3 Catalog No: AG0081Q1 MDL No:
Product Description
Catalog Number:
AG0081Q1
Chemical Name:
Benzoxazole, 2-(3,4-dihydro-2-naphthalenyl)-
CAS Number:
111836-60-3
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
IUPAC Name:
2-(3,4-dihydronaphthalen-2-yl)-1,3-benzoxazole
InChI:
InChI=1S/C17H13NO/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-8,11H,9-10H2
InChI Key:
OHINHQZSPKKTGG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C=C(CC2)c1nc2c(o1)cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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