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926218-33-9 | 2-iodo-5-(morpholine-4-sulfonyl)benzoic acid
CAS No: 926218-33-9 Catalog No: AG019V4V MDL No:MFCD09043424
Product Description
Catalog Number:
AG019V4V
Chemical Name:
2-iodo-5-(morpholine-4-sulfonyl)benzoic acid
CAS Number:
926218-33-9
Molecular Formula:
C11H12INO5S
Molecular Weight:
397.1861
MDL Number:
MFCD09043424
IUPAC Name:
2-iodo-5-morpholin-4-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H12INO5S/c12-10-2-1-8(7-9(10)11(14)15)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
GVMXSHXUDXYPLX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1I)S(=O)(=O)N1CCOCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.948g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.183g/mol
Monoisotopic Mass:
396.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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