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Home > Bromides > 1167056-88-3
1167056-88-3 | 1(2H)-Isoquinolinone, 5-bromo-3,4-dihydro-7,8-dimethoxy-
CAS No: 1167056-88-3 Catalog No: AG000D4J MDL No:
Product Description
Catalog Number:
AG000D4J
Chemical Name:
1(2H)-Isoquinolinone, 5-bromo-3,4-dihydro-7,8-dimethoxy-
CAS Number:
1167056-88-3
Molecular Formula:
C11H12BrNO3
Molecular Weight:
286.1219
IUPAC Name:
5-bromo-7,8-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H12BrNO3/c1-15-8-5-7(12)6-3-4-13-11(14)9(6)10(8)16-2/h5H,3-4H2,1-2H3,(H,13,14)
InChI Key:
DTIUYRPCZSHZFC-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1C(=O)NCC2)Br
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.125g/mol
Monoisotopic Mass:
285g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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