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2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

CAS: 842957-18-0

Formula: C9H8ClN3OS

SMILES: CC1=C(NC(=O)CCl)C2=NSN=C2C=C1

IUPAC: 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

InChI: InChI=1S/C9H8ClN3OS/c1-5-2-3-6-9(13-15-12-6)8(5)11-7(14)4-10/h2-3H,4H2,1H3,(H,11,14)

Composition: C (44.73%), H (3.34%), Cl (14.67%), N (17.39%), O (6.62%), S (13.26%)

Molar Mass: 241.69

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.0076608
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PZFSOXXVENMMMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.2
Topological Polar Surface Area 54.88
Polarizability 23.3
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 842957-18-0 $201.07-$329.41$201.07$329.41
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