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114246-72-9 | 1-Propanesulfonic acid, 3-[(4-iodophenyl)amino]-
CAS No: 114246-72-9 Catalog No: AG000AWP MDL No:
Product Description
Catalog Number:
AG000AWP
Chemical Name:
1-Propanesulfonic acid, 3-[(4-iodophenyl)amino]-
CAS Number:
114246-72-9
Molecular Formula:
C9H12INO3S
Molecular Weight:
341.1660
IUPAC Name:
3-(4-iodoanilino)propane-1-sulfonic acid
InChI:
InChI=1S/C9H12INO3S/c10-8-2-4-9(5-3-8)11-6-1-7-15(12,13)14/h2-5,11H,1,6-7H2,(H,12,13,14)
InChI Key:
ZIEZYPNAPAHKPK-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)NCCCS(=O)(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.163g/mol
Monoisotopic Mass:
340.958g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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