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102185-33-1
1. Introduction of5-Bromo-4-chloro-3-indolyl phosphate disodium salt
The 5-Bromo-4-chloro-3-indolyl phosphate disodium salt, with its CAS N
1. Introduction of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
The 5-Bromo-4-chloro-3-indolyl phosphate disodium salt, with its CAS NO 102185-33-1, is a kind of Off-white to light beige crystalline powder. It has synonyms of 1H-Indol-3-ol,5-bromo-4-chloro-, dihydrogen phosphate (ester), disodium salt (9CI) and 5-Bromo-4-chloro-3-indolyl phosphate disodium salt.
2. Properties of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
Molecular Weight 370.431961 [g/mol]
Molecular Formula C8H4BrClNNa2O4P
H-Bond Donor 1
H-Bond Acceptor 4
Rotatable Bond Count 1
Exact Mass 368.854523
MonoIsotopic Mass 368.854523
Topological Polar Surface Area 88.2
Heavy Atom Count 18
Complexity 303
Covalently-Bonded Unit Count 3
3. Structure descriptors of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
IUPAC Name: disodium;(5-bromo-4-chloro-1H-indol-3-yl) phosphateInChI: InChI=1S/C8H6BrClNO4P.2Na/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,
13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
InChIKey: OAZUOCJOEUNDEK-UHFFFAOYSA-L
Canonical SMILES : C1=CC(=C(C2=C1NC=C2OP(=O)([O-])[O-])Cl)Br.[Na+].[Na+]
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