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872141-26-9 | 2H-Indol-2-one, 5-bromo-7-fluoro-1,3-dihydro-3,3-dimethyl-
CAS No: 872141-26-9 Catalog No: AG004N22 MDL No:MFCD13192273
Product Description
Catalog Number:
AG004N22
Chemical Name:
2H-Indol-2-one, 5-bromo-7-fluoro-1,3-dihydro-3,3-dimethyl-
CAS Number:
872141-26-9
Molecular Formula:
C10H9BrFNO
Molecular Weight:
258.0870
MDL Number:
MFCD13192273
IUPAC Name:
5-bromo-7-fluoro-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C10H9BrFNO/c1-10(2)6-3-5(11)4-7(12)8(6)13-9(10)14/h3-4H,1-2H3,(H,13,14)
InChI Key:
NQVYXWRBWBTSKR-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c2c(c1)C(C)(C)C(=O)N2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.09g/mol
Monoisotopic Mass:
256.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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