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76697-50-2 | 1-Amino-2-(isopropylsulphonyl)benzene
CAS No: 76697-50-2 Catalog No: AG003DXG MDL No:MFCD08445603
Product Description
Catalog Number:
AG003DXG
Chemical Name:
1-Amino-2-(isopropylsulphonyl)benzene
CAS Number:
76697-50-2
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD08445603
IUPAC Name:
2-propan-2-ylsulfonylaniline
InChI:
InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChI Key:
GMLAMRMKROYXNZ-UHFFFAOYSA-N
SMILES:
Nc1ccccc1S(=O)(=O)C(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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