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101456-22-8 | Benzenamine, N-methyl-4-[2-(4-nitrophenyl)ethynyl]-
CAS No: 101456-22-8 Catalog No: AG0004IZ MDL No:
Product Description
Catalog Number:
AG0004IZ
Chemical Name:
Benzenamine, N-methyl-4-[2-(4-nitrophenyl)ethynyl]-
CAS Number:
101456-22-8
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
N-methyl-4-[2-(4-nitrophenyl)ethynyl]aniline
InChI:
InChI=1S/C15H12N2O2/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)17(18)19/h4-11,16H,1H3
InChI Key:
RLYOERJLGZURGK-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)C#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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