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100171-52-6 | Naphth[2,3-d]oxazole, 2-(1-naphthalenyl)-
CAS No: 100171-52-6 Catalog No: AG00015I MDL No:
Product Description
Catalog Number:
AG00015I
Chemical Name:
Naphth[2,3-d]oxazole, 2-(1-naphthalenyl)-
CAS Number:
100171-52-6
Molecular Formula:
C21H13NO
Molecular Weight:
295.3340
IUPAC Name:
2-naphthalen-1-ylbenzo[f][1,3]benzoxazole
InChI:
InChI=1S/C21H13NO/c1-2-8-16-13-20-19(12-15(16)7-1)22-21(23-20)18-11-5-9-14-6-3-4-10-17(14)18/h1-13H
InChI Key:
TTWNZQKDAKGOTK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccc2)c1nc2c(o1)cc1c(c2)cccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.341g/mol
Monoisotopic Mass:
295.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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