methyl 3-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylate

methyl 3-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylate

CAS: 1555708-89-8

Formula: C12H13BrO3

SMILES: COC(=O)C1CC(O)(C1)C1=CC=C(Br)C=C1

IUPAC: methyl 3-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylate

InChI: InChI=1S/C12H13BrO3/c1-16-11(14)8-6-12(15,7-8)9-2-4-10(13)5-3-9/h2-5,8,15H,6-7H2,1H3

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	LHYBWCQOBNAJJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.21
Topological Polar Surface Area	46.53
Polarizability	24.89
Ring Count	2
Rotatable Bond Count	3

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