4-bromo-5-formylthiophene-2-carboxylic acid

4-bromo-5-formylthiophene-2-carboxylic acid

CAS: 940097-96-1

Formula: C6H3BrO3S

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

IUPAC: 4-bromo-5-formylthiophene-2-carboxylic acid

InChI: InChI=1S/C6H3BrO3S/c7-3-1-4(6(9)10)11-5(3)2-8/h1-2H,(H,9,10)

Composition: C (30.66%), H (1.29%), Br (33.99%), O (20.42%), S (13.64%)

Molar Mass: 235.05

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.898628
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UREDOEQKTBTCRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.19
Topological Polar Surface Area	54.37
Polarizability	16.51
Ring Count	1
Rotatable Bond Count	2

Suppliers

Life Chemicals USA, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	940097-96-1		$278.19-$4,080.78$278.19$497.97$891.99$1,943.37$2,920.50$4,080.78

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	940097-96-1		$51.35-$936.27$51.35$63.37$86.31$592.14$936.27