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102185-49-9 | 1H-Indol-3-ol, 5-bromo-4-chloro-, dihydrogen phosphate (ester), monopotassium salt (9CI)
CAS No: 102185-49-9 Catalog No: AG0006U1 MDL No:MFCD00080893
Product Description
Catalog Number:
AG0006U1
Chemical Name:
1H-Indol-3-ol, 5-bromo-4-chloro-, dihydrogen phosphate (ester), monopotassium salt (9CI)
CAS Number:
102185-49-9
Molecular Formula:
C8H4BrClK2NO4P
Molecular Weight:
402.6490
MDL Number:
MFCD00080893
IUPAC Name:
dipotassium;(5-bromo-4-chloro-1H-indol-3-yl) phosphate
InChI:
InChI=1S/C8H6BrClNO4P.2K/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
InChI Key:
BYVJPKSAOAYTGG-UHFFFAOYSA-L
SMILES:
Clc1c(Br)ccc2c1c(c[nH]2)OP(=O)([O-])[O-].[K+].[K+]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.802g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.647g/mol
Monoisotopic Mass:
400.802g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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