Home Sulfos 3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid

3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid

CAS No.:
125464-42-8
Catalog Number:
AG000NPW
Molecular Formula:
C9H12ClNO3S
Molecular Weight:
249.7145
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$153
- +
10mg
≥98%
1 week
United States
$239
- +
50mg
≥98%
1 week
United States
$823
- +
Product Description
Catalog Number:
AG000NPW
Chemical Name:
3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid
CAS Number:
125464-42-8
Molecular Formula:
C9H12ClNO3S
Molecular Weight:
249.7145
MDL Number:
MFCD00216817
IUPAC Name:
3-amino-2-(4-chlorophenyl)propane-1-sulfonic acid
InChI:
InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)
InChI Key:
JYLNVJYYQQXNEK-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Cl)CS(=O)(=O)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.709g/mol
Monoisotopic Mass:
249.023g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Literature
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Properties