2-chloro-1,3-benzothiazole-7-carboxylic acid

2-chloro-1,3-benzothiazole-7-carboxylic acid

CAS: 1379324-66-9

Formula: C8H4ClNO2S

SMILES: OC(=O)C1=C2SC(Cl)=NC2=CC=C1

IUPAC: 2-chloro-1,3-benzothiazole-7-carboxylic acid

InChI: InChI=1S/C8H4ClNO2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H,11,12)

Composition: C (44.98%), H (1.89%), Cl (16.59%), N (6.56%), O (14.98%), S (15.01%)

Molar Mass: 213.64

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	212.9651272
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MMDQFYIMUCGXIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.41
Topological Polar Surface Area	50.19
Polarizability	20.01
Ring Count	2
Rotatable Bond Count	1

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