chempirical

Magenta phosphate

C15H15BrClN2O4PCAS 6769-80-8433.62 g/mol

Open in Covalent MOL file
NH2BrClNHOPOHOOH
Aryl halidePhosphatePrimary amine

Properties

Molecular formula
C15H15BrClN2O4P
Molar mass
433.62 g/mol
Exact mass
431.9641 Da
logP
4.63Crippen estimate
Polar surface area
108.6 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6769-80-8
SMILES
CC1=CC=C(C=C1)N.C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)O
InChIKey
WUHVYTJTZAKPOS-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClNO4P.C7H9N/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3

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Names and synonyms

1 names
  • 5-Bromo-6-chloro-3-indolyl phosphate P-toluidine salt

Work with Magenta phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylaniline106-49-0Free base 4-Methylaniline hydrochloride540-23-8Salt 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt6578-06-9Salt

Similar compounds

5-Bromo-6-chloro-1H-indol-3-yl hexopyranoside93863-88-838 % similar 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt144110-43-035 % similar 4-Bromo-3-chlorotoluene6627-51-633 % similar 5-Bromo-6-chloro-1H-indole122531-09-333 % similar 4-Bromo-3-chloroaniline21402-26-633 % similar 2-Bromo-1-chloro-4-methylbenzene57310-39-133 % similar 3-Bromo-4-chloroaniline823-54-133 % similar Psilocybin520-52-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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