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88056-45-5 | Propen-2-ol, 1-(2,5-dichlorophenoxy)-3-[(1,1-dimethylethyl)amino]-
CAS No: 88056-45-5 Catalog No: AG004IHM MDL No:
Product Description
Catalog Number:
AG004IHM
Chemical Name:
Propen-2-ol, 1-(2,5-dichlorophenoxy)-3-[(1,1-dimethylethyl)amino]-
CAS Number:
88056-45-5
Molecular Formula:
C13H17Cl2NO2
Molecular Weight:
290.1856
IUPAC Name:
3-(tert-butylamino)-1-(2,5-dichlorophenoxy)prop-1-en-2-ol
InChI:
InChI=1S/C13H17Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,8,16-17H,7H2,1-3H3
InChI Key:
DIOPLBYGIMPUIK-UHFFFAOYSA-N
SMILES:
OC(=COc1cc(Cl)ccc1Cl)CNC(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.184g/mol
Monoisotopic Mass:
289.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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