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203580-79-4

203580-79-4 | Acetamide, N,N'-[(3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl)bis[(methylimino)-2,1-ethanediyl]]bis[2-chloro- (9CI)

CAS No: 203580-79-4 Catalog No: AG0006WE MDL No:

Product Description

Catalog Number:
AG0006WE
Chemical Name:
Acetamide, N,N'-[(3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl)bis[(methylimino)-2,1-ethanediyl]]bis[2-chloro- (9CI)
CAS Number:
203580-79-4
IUPAC Name:
2-[3-[2-[(2-chloroacetyl)amino]ethyl-methylamino]-6-[2-[(2-chloroacetyl)amino]ethyl-methylazaniumylidene]xanthen-9-yl]benzoate
InChI:
InChI=1S/C30H30Cl2N4O5/c1-35(13-11-33-27(37)17-31)19-7-9-23-25(15-19)41-26-16-20(36(2)14-12-34-28(38)18-32)8-10-24(26)29(23)21-5-3-4-6-22(21)30(39)40/h3-10,15-16H,11-14,17-18H2,1-2H3,(H2-,33,34,37,38,39,40)
InChI Key:
JDTQHZQCFZUJIV-UHFFFAOYSA-N

Properties

Complexity:
1060  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.159g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
597.493g/mol
Monoisotopic Mass:
596.159g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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