N-[(2-nitrophenyl)methyl]cyclopentanamine hydrobromide

N-[(2-nitrophenyl)methyl]cyclopentanamine hydrobromide

CAS: 1983848-06-1

Formula: C12H17BrN2O2

SMILES: Br.[O-][N+](=O)C1=C(CNC2CCCC2)C=CC=C1

IUPAC: N-[(2-nitrophenyl)methyl]cyclopentanamine hydrobromide

InChI: InChI=1S/C12H16N2O2.BrH/c15-14(16)12-8-4-1-5-10(12)9-13-11-6-2-3-7-11;/h1,4-5,8,11,13H,2-3,6-7,9H2;1H

Composition: C (47.86%), H (5.69%), Br (26.53%), N (9.30%), O (10.62%)

Molar Mass: 301.184

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.047341
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UYSFHGUYLMIUDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.04
Topological Polar Surface Area	55.17
Polarizability	24.03
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1983848-06-1		$28.75-$1,214.40$28.75$116.15$297.85$1,214.40