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124643-45-4 | Benzenamine, 2-[2-(4-methylphenyl)ethynyl]-
CAS No: 124643-45-4 Catalog No: AG000MI4 MDL No:
Product Description
Catalog Number:
AG000MI4
Chemical Name:
Benzenamine, 2-[2-(4-methylphenyl)ethynyl]-
CAS Number:
124643-45-4
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
IUPAC Name:
2-[2-(4-methylphenyl)ethynyl]aniline
InChI:
InChI=1S/C15H13N/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-9H,16H2,1H3
InChI Key:
BMZWJMXJVGEQGL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C#Cc1ccccc1N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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