C1=CC=C(C(=C1)C#N)S(=O)(=O)Cl
CAS: 69360-26-5
Name: 2-cyanobenzenesulfonyl chloride
SMILES: C1=CC=C(C(=C1)C#N)S(=O)(=O)Cl

Molecular Processing

Molecular formula
C7H4ClNO2S
Molecular weight
201.63
Exact mass
200.9651
XLogP
1.49
TPSA
57.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
44.2

Supplementary Information

InChIKey: NQAYCMBZPAARNO-UHFFFAOYSA-N
Synonyme
2-Cyanobenzenesulfonyl chloride69360-26-5DTXSID70334925RefChem:86578DTXCID50286014627-774-8NQAYCMBZPAARNO-UHFFFAOYSA-N2-cyanobenzene-1-sulfonyl chloride2-Cyanobenzenesulphonyl chlorideMFCD000523412-cyanobenzenesulfonylchloride2-Cyanobenzensulfonyl chloridecyanobenzenesulfonyl chloride2-cyanobenzensulfonylchlorideSCHEMBL4899762-cyano-benzenesulfonyl chloride2-cyanobenzene sulfonyl chlorideCHEMBL5022894SCHEMBL299487772-(chlorosulfonyl)benzenecarbonitrileSBB0664852-Cyanobenzenesulfonyl chloride, 98%AKOS001060118CS-W015543AS-15464DB-020976C1811EN300-07943F017349F2167-0072
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