ethyl 4-bromo-1,3-thiazole-2-carboxylate

ethyl 4-bromo-1,3-thiazole-2-carboxylate

CAS: 959755-96-5

Formula: C6H6BrNO2S

SMILES: CCOC(=O)C1=NC(Br)=CS1

IUPAC: ethyl 4-bromo-1,3-thiazole-2-carboxylate

InChI: InChI=1S/C6H6BrNO2S/c1-2-10-6(9)5-8-4(7)3-11-5/h3H,2H2,1H3

Composition: C (30.53%), H (2.56%), Br (33.85%), N (5.93%), O (13.55%), S (13.58%)

Molar Mass: 236.08

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.930263
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CFRQYWHXWNRQAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.98
Topological Polar Surface Area	39.19
Polarizability	17.59
Ring Count	1
Rotatable Bond Count	3

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