2-bromo-1,3-thiazole-5-carboxylic acid

2-bromo-1,3-thiazole-5-carboxylic acid

CAS: 54045-76-0

Formula: C4H2BrNO2S

SMILES: OC(=O)C1=CN=C(Br)S1

IUPAC: 2-bromo-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C4H2BrNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)

Composition: C (23.09%), H (0.97%), Br (38.41%), N (6.73%), O (15.38%), S (15.41%)

Molar Mass: 208.03

Atom Count: 11

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.898962
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BESGTWHUMYHYEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.93
Topological Polar Surface Area	50.19
Polarizability	13.87
Ring Count	1
Rotatable Bond Count	1

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