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Home > Bromides > 1260139-70-5
1260139-70-5 | 4,7,10,13-Tetraoxa-16-azaoctadecanoic acid, 18-bromo-17-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1260139-70-5 Catalog No: AG000QR9 MDL No:MFCD20229159
Product Description
Catalog Number:
AG000QR9
Chemical Name:
4,7,10,13-Tetraoxa-16-azaoctadecanoic acid, 18-bromo-17-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1260139-70-5
Molecular Formula:
C17H27BrN2O9
Molecular Weight:
483.3083
MDL Number:
MFCD20229159
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C17H27BrN2O9/c18-13-14(21)19-4-6-26-8-10-28-12-11-27-9-7-25-5-3-17(24)29-20-15(22)1-2-16(20)23/h1-13H2,(H,19,21)
InChI Key:
BONNYNBXMCRXBJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.09g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
483.312g/mol
Monoisotopic Mass:
482.09g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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