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Home > Pyridines > 134812-31-0
134812-31-0 | 3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]aniline
CAS No: 134812-31-0 Catalog No: AG00VS98 MDL No:MFCD09882166
Product Description
Catalog Number:
AG00VS98
Chemical Name:
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]aniline
CAS Number:
134812-31-0
Molecular Formula:
C14H11N3S
Molecular Weight:
253.3222
MDL Number:
MFCD09882166
IUPAC Name:
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)aniline
InChI:
InChI=1S/C14H11N3S/c15-12-3-1-2-11(8-12)13-9-18-14(17-13)10-4-6-16-7-5-10/h1-9H,15H2
InChI Key:
JCYDARGRFLNTFS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1csc(n1)c1ccncc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.323g/mol
Monoisotopic Mass:
253.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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