200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 1187171-85-2
1187171-85-2 | 4-(2,5-Dimethylbenzoyl)isoquinoline
CAS No: 1187171-85-2 Catalog No: AG01FDTO MDL No:
Product Description
Catalog Number:
AG01FDTO
Chemical Name:
4-(2,5-Dimethylbenzoyl)isoquinoline
CAS Number:
1187171-85-2
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
(2,5-dimethylphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C18H15NO/c1-12-7-8-13(2)16(9-12)18(20)17-11-19-10-14-5-3-4-6-15(14)17/h3-11H,1-2H3
InChI Key:
QCBVZCOCMPUHGW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)c1cncc2c1cccc2)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.