3-bromo-2-propoxyphenylboronic acid

3-bromo-2-propoxyphenylboronic acid

CAS: 848779-86-2

Formula: C9H12BBrO3

SMILES: CCCOC1=C(Br)C=CC=C1B(O)O

IUPAC: (3-bromo-2-propoxyphenyl)boronic acid

InChI: InChI=1S/C9H12BBrO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5,12-13H,2,6H2,1H3

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	QILIDAIRUWTFHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.96
Topological Polar Surface Area	49.69
Polarizability	22.57
Ring Count	1
Rotatable Bond Count	4

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