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75510-87-1 | Naphth[1,2-d]oxazole, 2-(4-methoxyphenyl)-
CAS No: 75510-87-1 Catalog No: AG005WVX MDL No:
Product Description
Catalog Number:
AG005WVX
Chemical Name:
Naphth[1,2-d]oxazole, 2-(4-methoxyphenyl)-
CAS Number:
75510-87-1
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
2-(4-methoxyphenyl)benzo[e][1,3]benzoxazole
InChI:
InChI=1S/C18H13NO2/c1-20-14-9-6-13(7-10-14)18-19-17-15-5-3-2-4-12(15)8-11-16(17)21-18/h2-11H,1H3
InChI Key:
DRMPFZWJXUXODJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc2c(n1)c1ccccc1cc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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