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1019335-91-1 | 1H-1,2,3-Triazole, 1-(1-anthracenylmethyl)-4-phenyl-
CAS No: 1019335-91-1 Catalog No: AG00060D MDL No:
Product Description
Catalog Number:
AG00060D
Chemical Name:
1H-1,2,3-Triazole, 1-(1-anthracenylmethyl)-4-phenyl-
CAS Number:
1019335-91-1
Molecular Formula:
C23H17N3
Molecular Weight:
335.4012
IUPAC Name:
1-(anthracen-1-ylmethyl)-4-phenyltriazole
InChI:
InChI=1S/C23H17N3/c1-2-7-17(8-3-1)23-16-26(25-24-23)15-21-12-6-11-20-13-18-9-4-5-10-19(18)14-22(20)21/h1-14,16H,15H2
InChI Key:
KVODSCUXQWSSKP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnn(c1)Cc1cccc2c1cc1ccccc1c2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.41g/mol
Monoisotopic Mass:
335.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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