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138966-56-0 | Phenol, 4-bromo-2,6-dimethyl-, phosphate (3:1) (9CI)
CAS No: 138966-56-0 Catalog No: AG0019YC MDL No:
Product Description
Catalog Number:
AG0019YC
Chemical Name:
Phenol, 4-bromo-2,6-dimethyl-, phosphate (3:1) (9CI)
CAS Number:
138966-56-0
Molecular Formula:
C24H30Br3O7P
Molecular Weight:
701.1766
IUPAC Name:
4-bromo-2,6-dimethylphenol;phosphoric acid
InChI:
InChI=1S/3C8H9BrO.H3O4P/c3*1-5-3-7(9)4-6(2)8(5)10;1-5(2,3)4/h3*3-4,10H,1-2H3;(H3,1,2,3,4)
InChI Key:
XUXRIVNNOZJYOF-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Brc1cc(C)c(c(c1)C)O.Brc1cc(C)c(c(c1)C)O.Brc1cc(C)c(c(c1)C)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
699.926g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
701.183g/mol
Monoisotopic Mass:
697.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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