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10206-04-9 | phenanthro[9,10-d]oxazole, 2-(4-chlorophenyl)-
CAS No: 10206-04-9 Catalog No: AG0006HT MDL No:
Product Description
Catalog Number:
AG0006HT
Chemical Name:
phenanthro[9,10-d]oxazole, 2-(4-chlorophenyl)-
CAS Number:
10206-04-9
Molecular Formula:
C21H12ClNO
Molecular Weight:
329.7791
IUPAC Name:
2-(4-chlorophenyl)phenanthro[9,10-d][1,3]oxazole
InChI:
InChI=1S/C21H12ClNO/c22-14-11-9-13(10-12-14)21-23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)24-21/h1-12H
InChI Key:
YTFBHFWEMNQADB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2c(o1)c1ccccc1c1c2cccc1
NSC Number:
39627
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.061g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.783g/mol
Monoisotopic Mass:
329.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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