3-bromo-5-methoxybenzoic acid

3-bromo-5-methoxybenzoic acid

CAS: 157893-14-6

Formula: C8H7BrO3

SMILES: COC1=CC(=CC(Br)=C1)C(O)=O

IUPAC: 3-bromo-5-methoxybenzoic acid

InChI: InChI=1S/C8H7BrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)

Composition: C (41.59%), H (3.05%), Br (34.58%), O (20.77%)

Molar Mass: 231.045

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.957857
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DMXJBCHYVUGXEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.4
Topological Polar Surface Area	46.53
Polarizability	18.16
Ring Count	1
Rotatable Bond Count	2

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	157893-14-6		$51.35-$157.32$51.35$63.37$86.31$157.32

Molecule Market Select

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AA BLOCKS INC

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97%	<6 Days	157893-14-6		$5.75-$466.90$5.75$11.50$29.90$58.65$117.30$466.90

Kinentia Biosciences LLC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	157893-14-6		$94.50-$354.38$94.50$354.38