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124643-40-9 | Benzenamine, 2-[2-(3-pyridinyl)ethynyl]-
CAS No: 124643-40-9 Catalog No: AG000MI5 MDL No:
Product Description
Catalog Number:
AG000MI5
Chemical Name:
Benzenamine, 2-[2-(3-pyridinyl)ethynyl]-
CAS Number:
124643-40-9
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
2-(2-pyridin-3-ylethynyl)aniline
InChI:
InChI=1S/C13H10N2/c14-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-6,9-10H,14H2
InChI Key:
VGCWHKDTLOWDFR-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C#Cc1cccnc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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