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147497-32-3 | 1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-
CAS No: 147497-32-3 Catalog No: AG001EXV MDL No:MFCD04114858
Product Description
Catalog Number:
AG001EXV
Chemical Name:
1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-
CAS Number:
147497-32-3
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD04114858
IUPAC Name:
6-bromo-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H8BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChI Key:
FQPKKECSRKYXIZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCNC2=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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