(2H-1,3-benzodioxol-5-ylmethyl)[(2-nitrophenyl)methyl]amine hydrobromide

(2H-1,3-benzodioxol-5-ylmethyl)[(2-nitrophenyl)methyl]amine hydrobromide

CAS: 1989824-37-4

Formula: C15H15BrN2O4

SMILES: Br.[O-][N+](=O)C1=C(CNCC2=CC3=C(OCO3)C=C2)C=CC=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(2-nitrophenyl)methyl]amine hydrobromide

InChI: InChI=1S/C15H14N2O4.BrH/c18-17(19)13-4-2-1-3-12(13)9-16-8-11-5-6-14-15(7-11)21-10-20-14;/h1-7,16H,8-10H2;1H

Composition: C (49.06%), H (4.12%), Br (21.76%), N (7.63%), O (17.43%)

Molar Mass: 367.199

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	366.02152
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UUVRQACWSLJLCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.01
Topological Polar Surface Area	73.63
Polarizability	29.46
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1989824-37-4		$28.75-$1,189.10$28.75$116.15$297.85$1,189.10