4-chloronaphthalen-1-ylboronic acid

4-chloronaphthalen-1-ylboronic acid

CAS: 147102-97-4

Formula: C10H8BClO2

SMILES: OB(O)C1=CC=C(Cl)C2=CC=CC=C12

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

InChI: InChI=1S/C10H8BClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H

Composition: C (58.18%), H (3.91%), B (5.24%), Cl (17.17%), O (15.50%)

Molar Mass: 206.43

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	206.030587
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PIHWNQAUHGAUGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.86
Topological Polar Surface Area	40.46
Polarizability	22.93
Ring Count	2
Rotatable Bond Count	1

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