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1187165-61-2 | 4-(4-Bromobenzoyl)isoquinoline
CAS No: 1187165-61-2 Catalog No: AG01FEZS MDL No:
Product Description
Catalog Number:
AG01FEZS
Chemical Name:
4-(4-Bromobenzoyl)isoquinoline
CAS Number:
1187165-61-2
Molecular Formula:
C16H10BrNO
Molecular Weight:
312.1607
IUPAC Name:
(4-bromophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H10BrNO/c17-13-7-5-11(6-8-13)16(19)15-10-18-9-12-3-1-2-4-14(12)15/h1-10H
InChI Key:
OQVNWFINVZHFLU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.166g/mol
Monoisotopic Mass:
310.995g/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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