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4-Fluoro-5-hydroxy-2-methylindole

CAT: 0127-PC908657-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC908657-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
288385-88-6
MDL Number
MFCD07368140
Purity
98%
Smiles
Cc1cc2c(F)c(O)ccc2[nH]1

Chemical Information

4-fluoro-2-methyl-1H-indol-5-ol
CAS Number288385-88-6
PubChem CID10352036
IUPAC Name4-fluoro-2-methyl-1H-indol-5-ol
Molecular FormulaC9H8FNO
Molecular Weight165.16
XLogP2.2
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity176
SMILES
CC1=CC2=C(N1)C=CC(=C2F)O
InChI
InChI=1S/C9H8FNO/c1-5-4-6-7(11-5)2-3-8(12)9(6)10/h2-4,11-12H,1H3
InChIKey
UMWRMOYYUHIPDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-2-methyl-1H-indol-5-ol
CAS: 288385-88-6
CID: 10352036
Formula: C9H8FNO
MW: 165.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.16
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass165.058992041
Monoisotopic Mass165.058992041
Topological Polar Surface Area36 Ų
Heavy Atom Count12
Formal Charge0
Complexity176
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