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Home Nitriles 2-Benzoyl-8-methyl-2,3-dihydroisoquinoline-1-carbonitrile

2-Benzoyl-8-methyl-2,3-dihydroisoquinoline-1-carbonitrile

CAS No.:
2007919-60-8
Catalog Number:
AG01EFN3
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG01EFN3
Chemical Name:
2-Benzoyl-8-methyl-2,3-dihydroisoquinoline-1-carbonitrile
CAS Number:
2007919-60-8
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
MDL Number:
MFCD30471979
IUPAC Name:
2-benzoyl-8-methyl-3H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C18H14N2O/c1-13-6-5-9-14-10-11-20(16(12-19)17(13)14)18(21)15-7-3-2-4-8-15/h2-10H,11H2,1H3
InChI Key:
PDTWTQDRQWPYGI-UHFFFAOYSA-N
SMILES:
N#CC1=c2c(C)cccc2=CCN1C(=O)c1ccccc1
Properties
Complexity:
633  
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:
0
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties