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132178-19-9 | 1,2-Benzenediol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluoro-
CAS No: 132178-19-9 Catalog No: AG0010CI MDL No:
Product Description
Catalog Number:
AG0010CI
Chemical Name:
1,2-Benzenediol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluoro-
CAS Number:
132178-19-9
Molecular Formula:
C13H20FNO4
Molecular Weight:
273.3006
IUPAC Name:
4-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorobenzene-1,2-diol
InChI:
InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3
InChI Key:
JEUSMJOCKAGUHH-UHFFFAOYSA-N
SMILES:
OC(COc1cc(O)c(cc1F)O)CNC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.304g/mol
Monoisotopic Mass:
273.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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