5-(3-bromophenyl)pentanoic acid

5-(3-bromophenyl)pentanoic acid

CAS: 857480-35-4

Formula: C11H13BrO2

SMILES: OC(=O)CCCCC1=CC=CC(Br)=C1

IUPAC: 5-(3-bromophenyl)pentanoic acid

InChI: InChI=1S/C11H13BrO2/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8H,1-2,4,7H2,(H,13,14)

Composition: C (51.38%), H (5.10%), Br (31.08%), O (12.44%)

Molar Mass: 257.127

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.009893
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NKXZWOVJAKICNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.79
Topological Polar Surface Area	37.3
Polarizability	22.78
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	857480-35-4		$42.44-$151.11$42.44$62.10$151.11