4-(aminomethyl)-3-fluorobenzonitrile hydrochloride

4-(aminomethyl)-3-fluorobenzonitrile hydrochloride

CAS: 1354963-08-8

Formula: C8H8ClFN2

SMILES: Cl.NCC1=CC=C(C=C1F)C#N

IUPAC: 4-(aminomethyl)-3-fluorobenzonitrile hydrochloride

InChI: InChI=1S/C8H7FN2.ClH/c9-8-3-6(4-10)1-2-7(8)5-11;/h1-3H,5,11H2;1H

Composition: C (51.49%), H (4.32%), Cl (19.00%), F (10.18%), N (15.01%)

Molar Mass: 186.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.0360041
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JRAJZEDEPYPARN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.47
Topological Polar Surface Area	49.81
Polarizability	15.18
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1354963-08-8		$201.76-$300.12$201.76$300.12