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2-methyl-5-(pyrazol-1-yl)benzenesulfonyl chloride

2-methyl-5-(pyrazol-1-yl)benzenesulfonyl chloride

CAS: 1219589-06-6

Formula: C10H9ClN2O2S

SMILES: CC1=C(C=C(C=C1)N1C=CC=N1)S(Cl)(=O)=O

IUPAC: 2-methyl-5-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride

InChI: InChI=1S/C10H9ClN2O2S/c1-8-3-4-9(13-6-2-5-12-13)7-10(8)16(11,14)15/h2-7H,1H3

Composition: C (46.79%), H (3.53%), Cl (13.81%), N (10.91%), O (12.46%), S (12.49%)

Molar Mass: 256.7

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.0073264
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VTDPIPJSPHXLRL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.66
Topological Polar Surface Area 51.96
Polarizability 25.22
Ring Count 2
Rotatable Bond Count 2

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