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113744-46-0 | Benzenamine, 4-[2-(2-thienyl)ethynyl]-
CAS No: 113744-46-0 Catalog No: AG0009JC MDL No:
Product Description
Catalog Number:
AG0009JC
Chemical Name:
Benzenamine, 4-[2-(2-thienyl)ethynyl]-
CAS Number:
113744-46-0
Molecular Formula:
C12H9NS
Molecular Weight:
199.2716
IUPAC Name:
4-(2-thiophen-2-ylethynyl)aniline
InChI:
InChI=1S/C12H9NS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-4,6-7,9H,13H2
InChI Key:
VXQYZSDNFQGYPI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C#Cc1cccs1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.271g/mol
Monoisotopic Mass:
199.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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