200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1187171-60-3
1187171-60-3 | 4-(3-Trifluoromethylbenzoyl)isoquinoline
CAS No: 1187171-60-3 Catalog No: AG01FBWS MDL No:
Product Description
Catalog Number:
AG01FBWS
Chemical Name:
4-(3-Trifluoromethylbenzoyl)isoquinoline
CAS Number:
1187171-60-3
Molecular Formula:
C17H10F3NO
Molecular Weight:
301.2626
IUPAC Name:
isoquinolin-4-yl-[3-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C17H10F3NO/c18-17(19,20)13-6-3-5-11(8-13)16(22)15-10-21-9-12-4-1-2-7-14(12)15/h1-10H
InChI Key:
CDOLJEHVUYWNPW-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1cccc(c1)C(F)(F)F
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.268g/mol
Monoisotopic Mass:
301.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.