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Home > Pyridines > 886507-85-3
886507-85-3 | 3-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]aniline
CAS No: 886507-85-3 Catalog No: AG00XDDM MDL No:MFCD06739799
Product Description
Catalog Number:
AG00XDDM
Chemical Name:
3-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]aniline
CAS Number:
886507-85-3
Molecular Formula:
C14H11N3S
Molecular Weight:
253.3222
MDL Number:
MFCD06739799
IUPAC Name:
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
InChI:
InChI=1S/C14H11N3S/c15-11-5-3-4-10(8-11)14-17-13(9-18-14)12-6-1-2-7-16-12/h1-9H,15H2
InChI Key:
RTVUNJNXDGTPBZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1scc(n1)c1ccccn1
Properties
Complexity:
274
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:
2.6
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