4-(aminomethyl)-3-fluorophenylboronic acid hydrochloride

4-(aminomethyl)-3-fluorophenylboronic acid hydrochloride

CAS: 1072946-45-2

Formula: C7H10BClFNO2

SMILES: Cl.NCC1=C(F)C=C(C=C1)B(O)O

IUPAC: [4-(aminomethyl)-3-fluorophenyl]boronic acid hydrochloride

InChI: InChI=1S/C7H9BFNO2.ClH/c9-7-3-6(8(11)12)2-1-5(7)4-10;/h1-3,11-12H,4,10H2;1H

Composition: C (40.93%), H (4.91%), B (5.26%), Cl (17.26%), F (9.25%), N (6.82%), O (15.58%)

Molar Mass: 205.42

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.047714
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	HOFYPLPXUYJZCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.29
Topological Polar Surface Area	66.48
Polarizability	16.58
Ring Count	1
Rotatable Bond Count	2

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97%	<7 Days	1072946-45-2		$140.25-$2,400.15$140.25$249.65$763.90$1,231.40$2,400.15

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