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Home > Bromides > 1227607-99-9
1227607-99-9 | 1(2H)-Isoquinolinone, 4-bromo-6-fluoro-
CAS No: 1227607-99-9 Catalog No: AG000JEF MDL No:MFCD14706174
Product Description
Catalog Number:
AG000JEF
Chemical Name:
1(2H)-Isoquinolinone, 4-bromo-6-fluoro-
CAS Number:
1227607-99-9
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
MDL Number:
MFCD14706174
IUPAC Name:
4-bromo-6-fluoro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H5BrFNO/c10-8-4-12-9(13)6-2-1-5(11)3-7(6)8/h1-4H,(H,12,13)
InChI Key:
LLHQSKGXDXYXJD-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Br)c[nH]c2=O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.047g/mol
Monoisotopic Mass:
240.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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