ethyl 2-chloro-1,3-benzothiazole-6-carboxylate

ethyl 2-chloro-1,3-benzothiazole-6-carboxylate

CAS: 78485-37-7

Formula: C10H8ClNO2S

SMILES: CCOC(=O)C1=CC=C2N=C(Cl)SC2=C1

IUPAC: ethyl 2-chloro-1,3-benzothiazole-6-carboxylate

InChI: InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3

Composition: C (49.70%), H (3.34%), Cl (14.67%), N (5.80%), O (13.24%), 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	240.9964274
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XISSCVMIXDMKLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.93
Topological Polar Surface Area	39.19
Polarizability	23.91
Ring Count	2
Rotatable Bond Count	3

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