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1949-44-6

1949-44-6 | 2,4,6-TRIIODO-3,5-BIS(N-METHYLACETAMIDO)BENZOIC ACID

CAS No: 1949-44-6 Catalog No: AG00B4DR MDL No:

Product Description

Catalog Number:
AG00B4DR
Chemical Name:
2,4,6-TRIIODO-3,5-BIS(N-METHYLACETAMIDO)BENZOIC ACID
CAS Number:
1949-44-6
IUPAC Name:
3,5-bis[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
InChI:
InChI=1S/C13H13I3N2O4/c1-5(19)17(3)11-8(14)7(13(21)22)9(15)12(10(11)16)18(4)6(2)20/h1-4H3,(H,21,22)
InChI Key:
HXLHPWRFRAZDQW-UHFFFAOYSA-N

Properties

Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
641.801g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
641.97g/mol
Monoisotopic Mass:
641.801g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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