CAS: 68901-09-7
名称: 2-chloro-5-(methylsulfamoyl)benzoic acid
SMILES:
CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OMolecular Processing
Molecular formula
C8H8ClNO4S
Molecular weight
249.67
Exact mass
248.9863
XLogP
0.95
TPSA
83.47
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
54.66
Supplementary Information
InChIKey: RULGDFLFEUYACU-UHFFFAOYSA-N
同義語
2-Chloro-5-(N-methylsulfamoyl)benzoic acidBenzoic acid, 2-chloro-5-[(methylamino)sulfonyl]-EINECS 272-652-6DTXSID6071821Benzoic acid, 2-chloro-5-((methylamino)sulfonyl)-RefChem:565533DTXCID504630868901-09-72-chloro-5-(methylsulfamoyl)benzoic acid2-chloro-5-[(methylamino)sulfonyl]benzoic acidMFCD00087623Benzoic acid,2-chloro-5-[(methylamino)sulfonyl]-2-Chloro-5-(methylsulphamoyl)benzoic acidD8DQY2GNF6SCHEMBL3920308AKOS0001175842-Chloro-5-methylsulfamoyl-benzoic acidDA-26485SY1396032-Chloro-5-(N-methylsulfamoyl)benzoicacid2-chloro-5-(N-methylsulfamoyl)-benzoic acidCS-0231498NS00036743Benzoic acid, 2-chloro-5-(methylsulfamoyl)-EN300-10855G37494F650040SR-01000058263SR-01000058263-1Z53038384
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