3-bromo-5-butoxyphenylboronic acid

3-bromo-5-butoxyphenylboronic acid

CAS: 1072951-84-8

Formula: C10H14BBrO3

SMILES: CCCCOC1=CC(Br)=CC(=C1)B(O)O

IUPAC: (3-bromo-5-butoxyphenyl)boronic acid

InChI: InChI=1S/C10H14BBrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3

Composition: C (44.01%), H (5.17%), B (3.96%), Br (29.28%), O (17.59%)

Molar Mass: 272.93

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.021937
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OWWZXOTWNAQSTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.56
Topological Polar Surface Area	49.69
Polarizability	24.38
Ring Count	1
Rotatable Bond Count	5

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