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138845-11-1 | Phosphonic acid, [4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]phenyl]- (9CI)
CAS No: 138845-11-1 Catalog No: AG0019OL MDL No:
Product Description
Catalog Number:
AG0019OL
Chemical Name:
Phosphonic acid, [4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]phenyl]- (9CI)
CAS Number:
138845-11-1
Molecular Formula:
C16H20N3O5P
Molecular Weight:
365.3209
IUPAC Name:
[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]phosphonic acid
InChI:
InChI=1S/C16H20N3O5P/c20-11-9-19(10-12-21)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)25(22,23)24/h1-8,20-21H,9-12H2,(H2,22,23,24)
InChI Key:
OASAYMAPIOHCAY-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(cc1)N=Nc1ccc(cc1)P(=O)(O)O)CCO
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
365.326g/mol
Monoisotopic Mass:
365.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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