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1187165-67-8 | 4-(3-Iodobenzoyl)isoquinoline
CAS No: 1187165-67-8 Catalog No: AG01FF51 MDL No:
Product Description
Catalog Number:
AG01FF51
Chemical Name:
4-(3-Iodobenzoyl)isoquinoline
CAS Number:
1187165-67-8
Molecular Formula:
C16H10INO
Molecular Weight:
359.1612
IUPAC Name:
(3-iodophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H10INO/c17-13-6-3-5-11(8-13)16(19)15-10-18-9-12-4-1-2-7-14(12)15/h1-10H
InChI Key:
YWWJMPXGQKCURU-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.166g/mol
Monoisotopic Mass:
358.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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