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6-Bromo-7-fluoroindolin-2-one

CAT: 0127-PC1027162-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1027162-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1415580-09-4
MDL Number
MFCD28501563
Purity
98%
Smiles
O=C1NC2=C (C=CC (Br) =C2F) C1

Chemical Information

6-bromo-7-fluoro-2,3-dihydro-1H-indol-2-one
CAS Number1415580-09-4
PubChem CID118998058
IUPAC Name6-bromo-7-fluoro-1,3-dihydroindol-2-one
Molecular FormulaC8H5BrFNO
Molecular Weight230.03
XLogP1.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity211
SMILES
C1C2=C(C(=C(C=C2)Br)F)NC1=O
InChI
InChI=1S/C8H5BrFNO/c9-5-2-1-4-3-6(12)11-8(4)7(5)10/h1-2H,3H2,(H,11,12)
InChIKey
YOBPUGUCOJXXIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-bromo-7-fluoro-2,3-dihydro-1H-indol-2-one
CAS: 1415580-09-4
CID: 118998058
Formula: C8H5BrFNO
MW: 230.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.03
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass228.95385
Monoisotopic Mass228.95385
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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