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177662-76-9 | Benzenamine, 4-(methylsulfonyl)-, hydrochloride (1:1)
CAS No: 177662-76-9 Catalog No: AG0025FZ MDL No:MFCD00216490
Product Description
Catalog Number:
AG0025FZ
Chemical Name:
Benzenamine, 4-(methylsulfonyl)-, hydrochloride (1:1)
CAS Number:
177662-76-9
Molecular Formula:
C7H10ClNO2S
Molecular Weight:
207.6778
MDL Number:
MFCD00216490
IUPAC Name:
4-methylsulfonylaniline;hydrochloride
InChI:
InChI=1S/C7H9NO2S.ClH/c1-11(9,10)7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChI Key:
NMEAGYKSZYLEAS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)C.Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.672g/mol
Monoisotopic Mass:
207.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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