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

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

CAS: 1609402-67-6

Formula: C14H21BrN2O2

SMILES: Br.[O-][N+](=O)C1=C(CNC2CCCCCC2)C=CC=C1

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

InChI: InChI=1S/C14H20N2O2.BrH/c17-16(18)14-10-6-5-7-12(14)11-15-13-8-3-1-2-4-9-13;/h5-7,10,13,15H,1-4,8-9,11H2;1H

Composition: C (51.07%), H (6.43%), Br (24.27%), N (8.51%), O (9.72%)

Molar Mass: 329.238

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	328.078641
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SCKDUVPFTGCHQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.24
Topological Polar Surface Area	55.17
Polarizability	27.71
Ring Count	2
Rotatable Bond Count	4

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