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

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

CAS: 21160-50-9

Formula: C10H6BrNO2S

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

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

InChI: InChI=1S/C10H6BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)

Composition: C (42.27%), H (2.13%), Br (28.12%), N (4.93%), O (11.26%), S (11.28%)

Molar Mass: 284.13

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	282.930263
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FSXGZVXOAJEGDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.88
Topological Polar Surface Area	50.19
Polarizability	23.63
Ring Count	2
Rotatable Bond Count	2

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