N-[(4-nitrophenyl)methyl]cyclohexanamine hydrobromide

N-[(4-nitrophenyl)methyl]cyclohexanamine hydrobromide

CAS: 1609409-25-7

Formula: C13H19BrN2O2

SMILES: Br.[O-][N+](=O)C1=CC=C(CNC2CCCCC2)C=C1

IUPAC: N-[(4-nitrophenyl)methyl]cyclohexanamine hydrobromide

InChI: InChI=1S/C13H18N2O2.BrH/c16-15(17)13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12;/h6-9,12,14H,1-5,10H2;1H

Composition: C (49.54%), H (6.08%), Br (25.35%), N (8.89%), O (10.15%)

Molar Mass: 315.211

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	314.062991
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SPEHVZSHPCIDIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.64
Topological Polar Surface Area	55.17
Polarizability	25.87
Ring Count	2
Rotatable Bond Count	4

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