Home Halogens 7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide

7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide

CAS No.:
1803571-70-1
Catalog Number:
AG01BDH5
Molecular Formula:
C17H19Cl3N2O4
Molecular Weight:
421.7028
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Product Description
Catalog Number:
AG01BDH5
Chemical Name:
7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide
CAS Number:
1803571-70-1
Molecular Formula:
C17H19Cl3N2O4
Molecular Weight:
421.7028
MDL Number:
MFCD28064261
IUPAC Name:
7-(1,3-dioxoisoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide
InChI:
InChI=1S/C17H19Cl3N2O4/c18-17(19,20)16(26)21-13(23)9-3-1-2-6-10-22-14(24)11-7-4-5-8-12(11)15(22)25/h4-5,7-8,16,26H,1-3,6,9-10H2,(H,21,23)
InChI Key:
NQWJCTHCMBJUAG-UHFFFAOYSA-N
SMILES:
O=C(NC(C(Cl)(Cl)Cl)O)CCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.041g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
421.699g/mol
Monoisotopic Mass:
420.041g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties