3-bromo-4-(cyclopentyloxy)-5-methoxybenzoic acid

3-bromo-4-(cyclopentyloxy)-5-methoxybenzoic acid

CAS: 713104-51-9

Formula: C13H15BrO4

SMILES: COC1=CC(=CC(Br)=C1OC1CCCC1)C(O)=O

IUPAC: 3-bromo-4-(cyclopentyloxy)-5-methoxybenzoic acid

InChI: InChI=1S/C13H15BrO4/c1-17-11-7-8(13(15)16)6-10(14)12(11)18-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,15,16)

Composition: C (49.54%), H (4.80%), Br (25.35%), O (20.31%)

Molar Mass: 315.163

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	314.015372
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CSIGUGGJAICJPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.28
Topological Polar Surface Area	55.76
Polarizability	27.26
Ring Count	2
Rotatable Bond Count	4

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