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100984-03-0 | 2-Propanol, 1-[[4-amino-2-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-
CAS No: 100984-03-0 Catalog No: AG0003DR MDL No:
Product Description
Catalog Number:
AG0003DR
Chemical Name:
2-Propanol, 1-[[4-amino-2-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-
CAS Number:
100984-03-0
Molecular Formula:
C11H18N2O4S
Molecular Weight:
274.3366
IUPAC Name:
1-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propan-2-ol
InChI:
InChI=1S/C11H18N2O4S/c1-8(15)7-13-10-3-2-9(12)6-11(10)18(16,17)5-4-14/h2-3,6,8,13-15H,4-5,7,12H2,1H3
InChI Key:
WWUBUXXXRILRMQ-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cc(N)ccc1NCC(O)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.335g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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