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134812-28-5 | 3-(1,3-THIAZOL-4-YL)ANILINE
CAS No: 134812-28-5 Catalog No: AG00A8HE MDL No:MFCD09864282
Product Description
Catalog Number:
AG00A8HE
Chemical Name:
3-(1,3-THIAZOL-4-YL)ANILINE
CAS Number:
134812-28-5
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD09864282
IUPAC Name:
3-(1,3-thiazol-4-yl)aniline
InChI:
InChI=1S/C9H8N2S/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H,10H2
InChI Key:
IEKBOUQLQRHVRN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1cscn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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