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5-Chloro-6-methoxyindoline

CAT: 0127-OR1048681-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1048681-01Size:100 mg
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CAS Number
1551556-04-7
MDL Number
MFCD28626398
Purity
95%
Smiles
COC1=CC2=C(C=C1Cl)CCN2

Chemical Information

5-Chloro-6-methoxyindoline
CAS Number1551556-04-7
PubChem CID83876332
IUPAC Name5-chloro-6-methoxy-2,3-dihydro-1H-indole
Molecular FormulaC9H10ClNO
Molecular Weight183.63
XLogP2.5
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
COC1=C(C=C2CCNC2=C1)Cl
InChI
InChI=1S/C9H10ClNO/c1-12-9-5-8-6(2-3-11-8)4-7(9)10/h4-5,11H,2-3H2,1H3
InChIKey
PVPQDNSPPHAQGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-6-methoxyindoline
CAS: 1551556-04-7
CID: 83876332
Formula: C9H10ClNO
MW: 183.63
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.63
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass183.0450916
Monoisotopic Mass183.0450916
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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