200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 1187171-66-9
1187171-66-9 | 4-(4-tert-Butylbenzoyl)isoquinoline
CAS No: 1187171-66-9 Catalog No: AG01FDTI MDL No:
Product Description
Catalog Number:
AG01FDTI
Chemical Name:
4-(4-tert-Butylbenzoyl)isoquinoline
CAS Number:
1187171-66-9
Molecular Formula:
C20H19NO
Molecular Weight:
289.3710
IUPAC Name:
(4-tert-butylphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C20H19NO/c1-20(2,3)16-10-8-14(9-11-16)19(22)18-13-21-12-15-6-4-5-7-17(15)18/h4-13H,1-3H3
InChI Key:
QQZSXHCMHDRARH-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.378g/mol
Monoisotopic Mass:
289.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.