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1263378-01-3 | Benzenamine, N-methyl-4-(methylsulfonyl)-, hydrochloride (1:1)
CAS No: 1263378-01-3 Catalog No: AG000SNL MDL No:MFCD18157693
Product Description
Catalog Number:
AG000SNL
Chemical Name:
Benzenamine, N-methyl-4-(methylsulfonyl)-, hydrochloride (1:1)
CAS Number:
1263378-01-3
Molecular Formula:
C8H12ClNO2S
Molecular Weight:
221.7044
MDL Number:
MFCD18157693
IUPAC Name:
N-methyl-4-methylsulfonylaniline;hydrochloride
InChI:
InChI=1S/C8H11NO2S.ClH/c1-9-7-3-5-8(6-4-7)12(2,10)11;/h3-6,9H,1-2H3;1H
InChI Key:
JLMAKOFZASQMNU-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)S(=O)(=O)C.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.699g/mol
Monoisotopic Mass:
221.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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