(2H-1,3-benzodioxol-5-ylmethyl)[(3,4-difluorophenyl)methyl]amine hydrochloride

(2H-1,3-benzodioxol-5-ylmethyl)[(3,4-difluorophenyl)methyl]amine hydrochloride

CAS: 1185303-38-1

Formula: C15H14ClF2NO2

SMILES: Cl.FC1=C(F)C=C(CNCC2=CC3=C(OCO3)C=C2)C=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(3,4-difluorophenyl)methyl]amine hydrochloride

InChI: InChI=1S/C15H13F2NO2.ClH/c16-12-3-1-10(5-13(12)17)7-18-8-11-2-4-14-15(6-11)20-9-19-14;/h1-6,18H,7-9H2;1H

Composition: C (57.43%), H (4.50%), Cl (11.30%), F (12.11%), N (4.46%), O (10.20%)

Molar Mass: 313.73

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	313.0681127
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QAXLUAXBQIBXHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.12
Topological Polar Surface Area	30.49
Polarizability	26.95
Ring Count	3
Rotatable Bond Count	4

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1185303-38-1		$404.27$404.27