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25021-48-1 | 4-(2-PHENYL-1,3-THIAZOL-4-YL)ANILINE
CAS No: 25021-48-1 Catalog No: AG00C3FN MDL No:MFCD04971846
Product Description
Catalog Number:
AG00C3FN
Chemical Name:
4-(2-PHENYL-1,3-THIAZOL-4-YL)ANILINE
CAS Number:
25021-48-1
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
MDL Number:
MFCD04971846
IUPAC Name:
4-(2-phenyl-1,3-thiazol-4-yl)aniline
InChI:
InChI=1S/C15H12N2S/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-10H,16H2
InChI Key:
IOPGDXLYFPHBLA-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1csc(n1)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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