2,7-dichloro-10H-phenoxazine

C12H7Cl2NO — CID 139887196

IUPAC2,7-dichloro-10H-phenoxazine
SMILESClc1ccc2c(c1)Nc1ccc(Cl)cc1O2
InChIInChI=1S/C12H7Cl2NO/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H
InChIKeyWIKJQJZAUAWRIY-UHFFFAOYSA-N
MW252.10 g/mol
LogP4.84
Rot. Bonds

About 2,7-dichloro-10H-phenoxazine

2,7-dichloro-10H-phenoxazine (PubChem CID 139887196) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 2,7-dichloro-10H-phenoxazine.

Molecular Properties

Compound Name2,7-dichloro-10H-phenoxazine
PubChem CID139887196
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name2,7-dichloro-10H-phenoxazine
SMILESClc1ccc2c(c1)Nc1ccc(Cl)cc1O2
InChIInChI=1S/C12H7Cl2NO/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H
InChIKeyWIKJQJZAUAWRIY-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-10H-phenoxazin-2-yl)ethanone
CID 170632598
3-chloro-6-methylidene-5H-benzo[b][1,4]benzoxazepine
CID 4184197
azepan-3-ol;3,7-dichloro-10H-phenoxazine
CID 144987793
8-chloro-2-hydroxy-5H-benzo[b][1,4]benzoxazepin-6-one
CID 71651718
10H-phenoxazine-3,7-dicarbonyl chloride
CID 152711123
7-chloro-3,3-dimethyl-4H-1,4-benzoxazin-2-one
CID 115095195
3-chloro-7-methyl-10H-phenoxazine;oxane-3,4-diol
CID 145273654
8-azido-3-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 169326410
2-methyl-7-propan-2-yl-10H-phenoxazine
CID 67522543
3-chloro-N,N-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812335
10H-phenoxazine
CID 161421901
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-10H-phenoxazine?
The IUPAC name of 2,7-dichloro-10H-phenoxazine (CID 139887196) is 2,7-dichloro-10H-phenoxazine.
What is the SMILES notation for 2,7-dichloro-10H-phenoxazine?
The canonical SMILES for 2,7-dichloro-10H-phenoxazine is Clc1ccc2c(c1)Nc1ccc(Cl)cc1O2.
What is the InChIKey of 2,7-dichloro-10H-phenoxazine?
The InChIKey is WIKJQJZAUAWRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H.
What are the key properties of 2,7-dichloro-10H-phenoxazine?
2,7-dichloro-10H-phenoxazine has a molecular weight of 252.10 g/mol, XLogP of 4.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-10H-phenoxazine is sourced from PubChem (CID 139887196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).