2-[(4-bromophenyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(4-bromophenyl)amino]-1,3-thiazole-4-carboxylic acid

CAS: 165682-80-4

Formula: C10H7BrN2O2S

SMILES: OC(=O)C1=CSC(NC2=CC=C(Br)C=C2)=N1

IUPAC: 2-[(4-bromophenyl)amino]-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C10H7BrN2O2S/c11-6-1-3-7(4-2-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)

Composition: C (40.15%), H (2.36%), Br (26.71%), N (9.36%), O (10.70%), S (10.72%)

Molar Mass: 299.14

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.941162
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RAFYJFHPOHXNHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.73
Topological Polar Surface Area	62.22
Polarizability	24.19
Ring Count	2
Rotatable Bond Count	3

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90%	<2 Days	165682-80-4		$51.35-$86.31$51.35$63.37$86.31