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10134-01-7 | Methanone, (3-bromo-4-methoxyphenyl)-1-isoquinolinyl-
CAS No: 10134-01-7 Catalog No: AG00049K MDL No:
Product Description
Catalog Number:
AG00049K
Chemical Name:
Methanone, (3-bromo-4-methoxyphenyl)-1-isoquinolinyl-
CAS Number:
10134-01-7
Molecular Formula:
C17H12BrNO2
Molecular Weight:
342.1867
IUPAC Name:
(3-bromo-4-methoxyphenyl)-isoquinolin-1-ylmethanone
InChI:
InChI=1S/C17H12BrNO2/c1-21-15-7-6-12(10-14(15)18)17(20)16-13-5-3-2-4-11(13)8-9-19-16/h2-10H,1H3
InChI Key:
PUBMUESNYBDJME-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C(=O)c1nccc2c1cccc2
NSC Number:
142994
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.192g/mol
Monoisotopic Mass:
341.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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