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119984-85-9 | Benzonitrile, 4-[2-(4-aminophenyl)ethynyl]-
CAS No: 119984-85-9 Catalog No: AG000PZM MDL No:
Product Description
Catalog Number:
AG000PZM
Chemical Name:
Benzonitrile, 4-[2-(4-aminophenyl)ethynyl]-
CAS Number:
119984-85-9
Molecular Formula:
C15H10N2
Molecular Weight:
218.2533
IUPAC Name:
4-[2-(4-aminophenyl)ethynyl]benzonitrile
InChI:
InChI=1S/C15H10N2/c16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(17)10-8-13/h3-10H,17H2
InChI Key:
BGGCWCKETKXSFP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C#Cc1ccc(cc1)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.259g/mol
Monoisotopic Mass:
218.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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