methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

CAS: 1253654-65-7

Formula: C12H13BrO3

SMILES: COC(=O)C1=CC(O)=C2CCCCC2=C1Br

IUPAC: methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

InChI: InChI=1S/C12H13BrO3/c1-16-12(15)9-6-10(14)7-4-2-3-5-8(7)11(9)13/h6,14H,2-5H2,1H3

Composition: C (50.55%), H (4.60%), Br (28.02%), O (16.83%)

Molar Mass: 285.137

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.004807
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GPBUOGKTUHSZDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.17
Topological Polar Surface Area	46.53
Polarizability	24.72
Ring Count	2
Rotatable Bond Count	2

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