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22051-15-6 | Methanone,1H-indol-3-yl(4-methoxyphenyl)-
CAS No: 22051-15-6 Catalog No: AG007PZ3 MDL No:MFCD00429700
Product Description
Catalog Number:
AG007PZ3
Chemical Name:
Methanone,1H-indol-3-yl(4-methoxyphenyl)-
CAS Number:
22051-15-6
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00429700
IUPAC Name:
1H-indol-3-yl-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15/h2-10,17H,1H3
InChI Key:
KLNHIIYKFBCQQB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^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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