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1187171-63-6 | 4-(2-Bromobenzoyl)isoquinoline
CAS No: 1187171-63-6 Catalog No: AG01FF04 MDL No:
Product Description
Catalog Number:
AG01FF04
Chemical Name:
4-(2-Bromobenzoyl)isoquinoline
CAS Number:
1187171-63-6
Molecular Formula:
C16H10BrNO
Molecular Weight:
312.1607
IUPAC Name:
(2-bromophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H10BrNO/c17-15-8-4-3-7-13(15)16(19)14-10-18-9-11-5-1-2-6-12(11)14/h1-10H
InChI Key:
JDBJQEBAOLNQHS-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=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:
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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