tert-butyl 2-bromo-5-methoxybenzoate

tert-butyl 2-bromo-5-methoxybenzoate

CAS: 957063-12-6

Formula: C12H15BrO3

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

IUPAC: tert-butyl 2-bromo-5-methoxybenzoate

InChI: InChI=1S/C12H15BrO3/c1-12(2,3)16-11(14)9-7-8(15-4)5-6-10(9)13/h5-7H,1-4H3

Composition: C (50.19%), H (5.27%), Br (27.83%), O (16.71%)

Molar Mass: 287.153

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	286.020457
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JNNMFVKQTXPGQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.97
Topological Polar Surface Area	35.53
Polarizability	25.62
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	957063-12-6		$1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00