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157869-12-0 | Benzenamine, 2-[2-(4-nitrophenyl)ethynyl]-
CAS No: 157869-12-0 Catalog No: AG001PRR MDL No:
Product Description
Catalog Number:
AG001PRR
Chemical Name:
Benzenamine, 2-[2-(4-nitrophenyl)ethynyl]-
CAS Number:
157869-12-0
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
2-[2-(4-nitrophenyl)ethynyl]aniline
InChI:
InChI=1S/C14H10N2O2/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(10-7-11)16(17)18/h1-4,6-7,9-10H,15H2
InChI Key:
JCJSOROVNUFQFY-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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