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100376-62-3 | Benzeneethanesulfonic acid, β-amino-4-chloro-
CAS No: 100376-62-3 Catalog No: AG0001TJ MDL No:
Product Description
Catalog Number:
AG0001TJ
Chemical Name:
Benzeneethanesulfonic acid, β-amino-4-chloro-
CAS Number:
100376-62-3
Molecular Formula:
C8H10ClNO3S
Molecular Weight:
235.6879
IUPAC Name:
2-amino-2-(4-chlorophenyl)ethanesulfonic acid
InChI:
InChI=1S/C8H10ClNO3S/c9-7-3-1-6(2-4-7)8(10)5-14(11,12)13/h1-4,8H,5,10H2,(H,11,12,13)
InChI Key:
YXUUWCRKRJHQBE-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)Cl)CS(=O)(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.682g/mol
Monoisotopic Mass:
235.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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