3-bromo-4-cyclohexylbenzoic acid

3-bromo-4-cyclohexylbenzoic acid

CAS: 1131594-14-3

Formula: C13H15BrO2

SMILES: OC(=O)C1=CC=C(C2CCCCC2)C(Br)=C1

IUPAC: 3-bromo-4-cyclohexylbenzoic acid

InChI: InChI=1S/C13H15BrO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)

Composition: C (55.14%), H (5.34%), Br (28.22%), O (11.30%)

Molar Mass: 283.165

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.025543
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LUKSCSAUDYSDPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.13
Topological Polar Surface Area	37.3
Polarizability	25.69
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1131594-14-3		$65.57-$90.79$65.57$90.79