methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate

methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate

CAS: 924287-65-0

Formula: C9H5BrFNO2S

SMILES: COC(=O)C1=CC(F)=C2N=C(Br)SC2=C1

IUPAC: methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate

InChI: InChI=1S/C9H5BrFNO2S/c1-14-8(13)4-2-5(11)7-6(3-4)15-9(10)12-7/h2-3H,1H3

Composition: C (37.26%), H (1.74%), Br (27.54%), F (6.55%), N (4.83%), O (11.03%), S (11.05%)

Molar Mass: 290.11

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	288.920841
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SGWVZBCLQAXEJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57
Topological Polar Surface Area	39.19
Polarizability	22.86
Ring Count	2
Rotatable Bond Count	2

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95%	<5 Days	924287-65-0		$100.88$100.88