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2-Chloro-10-(5,5-dimethyl-1-pyrrolin-2-YL)phenoxazine

HCID 22754272
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC1(C)CCC(N2c3ccccc3Oc3ccc(Cl)cc32)=N1
InChIKey
XHEZBCQKWWJMFW-UHFFFAOYSA-N
Molecular formula
C18H17ClN2O
Average molar mass
312.8 g/mol

Names & identifiers

Preferred name
2-Chloro-10-(5,5-dimethyl-1-pyrrolin-2-YL)phenoxazine
IUPAC
2-chloro-10-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)phenoxazine

Names & synonyms

SCHEMBL11536759XHEZBCQKWWJMFW-UHFFFAOYSA-N2-CHLORO-10-(5,5-DIMETHYL-1-PYRROLIN-2-YL)-PHENOXAZINE2-CHLORO-10-(5,5-DIMETHYL-1-PYRROLIN-2-YL)PHENOXAZINE

Database identifiers

PubChem CID
22754272

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
24.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
464

Related reactions

5 records
New reaction record
HRID 839376 reaction equation
HRID 839376As productuspto-grants-1978_06
HRID 1537382 reaction equation
HRID 1537382As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1657793 reaction equation
HRID 1657793As productuspto-grants-1976_06
HRID 2071400 reaction equation
HRID 2071400As productuspto-grants-1977_09
HRID 2163240 reaction equation
HRID 2163240As productuspto-grants-1979_01

Compound notes

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