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1019335-92-2 | 1H-1,2,3-Triazole, 1-(1-anthracenylmethyl)-4-(3-methoxyphenyl)-
CAS No: 1019335-92-2 Catalog No: AG00060C MDL No:
Product Description
Catalog Number:
AG00060C
Chemical Name:
1H-1,2,3-Triazole, 1-(1-anthracenylmethyl)-4-(3-methoxyphenyl)-
CAS Number:
1019335-92-2
Molecular Formula:
C24H19N3O
Molecular Weight:
365.4272
IUPAC Name:
1-(anthracen-1-ylmethyl)-4-(3-methoxyphenyl)triazole
InChI:
InChI=1S/C24H19N3O/c1-28-22-11-5-9-20(13-22)24-16-27(26-25-24)15-21-10-4-8-19-12-17-6-2-3-7-18(17)14-23(19)21/h2-14,16H,15H2,1H3
InChI Key:
CXPAMTDFJCCSLH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nnn(c1)Cc1cccc2c1cc1ccccc1c2
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.436g/mol
Monoisotopic Mass:
365.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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