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Home > Indoles and Oxindole > 66751-31-3
66751-31-3 | 1-BENZYL-6-HYDROXY-7-CYANO-5-AZAINDOLIN
CAS No: 66751-31-3 Catalog No: AG006HW1 MDL No:MFCD12196908
Product Description
Catalog Number:
AG006HW1
Chemical Name:
1-BENZYL-6-HYDROXY-7-CYANO-5-AZAINDOLIN
CAS Number:
66751-31-3
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
MDL Number:
MFCD12196908
IUPAC Name:
1-benzyl-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile
InChI:
InChI=1S/C15H13N3O/c16-8-13-14-12(9-17-15(13)19)6-7-18(14)10-11-4-2-1-3-5-11/h1-5,9H,6-7,10H2,(H,17,19)
InChI Key:
NWZQCFJWPZRDRH-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)ncc2c1N(CC2)Cc1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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