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1227608-00-5 | 1(2H)-Isoquinolinone, 4-bromo-6-(trifluoromethyl)-
CAS No: 1227608-00-5 Catalog No: AG000JEE MDL No:MFCD14706175
Product Description
Catalog Number:
AG000JEE
Chemical Name:
1(2H)-Isoquinolinone, 4-bromo-6-(trifluoromethyl)-
CAS Number:
1227608-00-5
Molecular Formula:
C10H5BrF3NO
Molecular Weight:
292.0520
MDL Number:
MFCD14706175
IUPAC Name:
4-bromo-6-(trifluoromethyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H5BrF3NO/c11-8-4-15-9(16)6-2-1-5(3-7(6)8)10(12,13)14/h1-4H,(H,15,16)
InChI Key:
YXPSBGYGMWVOCO-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c(=O)c2c1cc(cc2)C(F)(F)F
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.055g/mol
Monoisotopic Mass:
290.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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