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25110-46-7 | 1H-Perimidine, 2-(4-methoxyphenyl)-
CAS No: 25110-46-7 Catalog No: AG002QIN MDL No:
Product Description
Catalog Number:
AG002QIN
Chemical Name:
1H-Perimidine, 2-(4-methoxyphenyl)-
CAS Number:
25110-46-7
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
2-(4-methoxyphenyl)-1H-perimidine
InChI:
InChI=1S/C18H14N2O/c1-21-14-10-8-13(9-11-14)18-19-15-6-2-4-12-5-3-7-16(20-18)17(12)15/h2-11H,1H3,(H,19,20)
InChI Key:
DMOIIYVOFOESDM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2cccc3c2c([nH]1)ccc3
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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