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844-25-7 | 2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
CAS No: 844-25-7 Catalog No: AG004SU4 MDL No:MFCD00024132
Product Description
Catalog Number:
AG004SU4
Chemical Name:
2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
CAS Number:
844-25-7
Molecular Formula:
C17H12N2O
Molecular Weight:
260.2900
MDL Number:
MFCD00024132
IUPAC Name:
2-benzoyl-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C17H12N2O/c18-12-16-15-9-5-4-6-13(15)10-11-19(16)17(20)14-7-2-1-3-8-14/h1-11,16H
InChI Key:
HIRCCKPODGFADB-UHFFFAOYSA-N
SMILES:
N#CC1c2ccccc2C=CN1C(=O)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.296g/mol
Monoisotopic Mass:
260.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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