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rac 1-Nitroso-2-methylindoline

CAT: 0572-TRC-N529945-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N529945-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85440-79-5
Synonyms
(2RS)-2-Methyl-1-nitroso-2,3-dihydro-1H-indole; Indapamide Imp. A (EP); Indapamide Related Compound D; Indapamide Impurity A
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC1Cc2ccccc2N1N=O
Molecular Formula
C9 H10 N2 O
Molecular Weight
162.19
InChI
InChI=1S/C9H10N2O/c1-7-6-8-4-2-3-5-9(8)11(7)10-12/h2-5,7H,6H2,1H3
Additionnal Information
IUPAC name: 2-methyl-1-nitroso-2,3-dihydroindole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,3-Dihydro-2-methyl-1-nitroso-1H-indole
CAS Number85440-79-5
PubChem CID12598926
IUPAC Name2-methyl-1-nitroso-2,3-dihydroindole
Molecular FormulaC9H10N2O
Molecular Weight162.19
XLogP2.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity183
SMILES
CC1CC2=CC=CC=C2N1N=O
InChI
InChI=1S/C9H10N2O/c1-7-6-8-4-2-3-5-9(8)11(7)10-12/h2-5,7H,6H2,1H3
InChIKey
KBCZSFIDYXEMTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydro-2-methyl-1-nitroso-1H-indole
CAS: 85440-79-5
CID: 12598926
Formula: C9H10N2O
MW: 162.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.19
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.079312947
Monoisotopic Mass162.079312947
Topological Polar Surface Area32.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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