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139052-28-1 | [1,1'-Biphenyl]-4-amine, 4'-(5-methyl-2-benzothiazolyl)-
CAS No: 139052-28-1 Catalog No: AG001A2P MDL No:
Product Description
Catalog Number:
AG001A2P
Chemical Name:
[1,1'-Biphenyl]-4-amine, 4'-(5-methyl-2-benzothiazolyl)-
CAS Number:
139052-28-1
Molecular Formula:
C20H16N2S
Molecular Weight:
316.4194
IUPAC Name:
4-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]aniline
InChI:
InChI=1S/C20H16N2S/c1-13-2-11-19-18(12-13)22-20(23-19)16-5-3-14(4-6-16)15-7-9-17(21)10-8-15/h2-12H,21H2,1H3
InChI Key:
DOPCLXMIZCXTJC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ccc(cc1)c1nc2c(s1)ccc(c2)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.422g/mol
Monoisotopic Mass:
316.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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