4-bromonaphthalen-1-ylboronic acid

4-bromonaphthalen-1-ylboronic acid

CAS: 145965-14-6

Formula: C10H8BBrO2

SMILES: OB(O)C1=C2C=CC=CC2=C(Br)C=C1

IUPAC: (4-bromonaphthalen-1-yl)boronic acid

InChI: InChI=1S/C10H8BBrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H

Composition: C (47.87%), H (3.21%), B (4.31%), Br (31.85%), O (12.75%)

Molar Mass: 250.89

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.980072
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DKKOMUVRCPKTFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.68
Topological Polar Surface Area	40.46
Polarizability	23.72
Ring Count	2
Rotatable Bond Count	1

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