4-(3-bromopropoxy)phenylboronic acid

4-(3-bromopropoxy)phenylboronic acid

CAS: 957034-33-2

Formula: C9H12BBrO3

SMILES: OB(O)C1=CC=C(OCCCBr)C=C1

IUPAC: [4-(3-bromopropoxy)phenyl]boronic acid

InChI: InChI=1S/C9H12BBrO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,12-13H,1,6-7H2

Composition: C (41.75%), H (4.67%), B (4.18%), Br (30.86%), O (18.54%)

Molar Mass: 258.91

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.006287
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BKESUWDVKSJULT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.26
Topological Polar Surface Area	49.69
Polarizability	22.47
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	957034-33-2		$217.86-$7,316.38$217.86$661.98$2,134.61$7,316.38

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	957034-33-2		$59.27-$727.60$59.27$158.89$727.60