4-bromo-N-cyclohexyl-2-nitro-5-propoxyaniline

4-bromo-N-cyclohexyl-2-nitro-5-propoxyaniline

CAS: 1365271-84-6

Formula: C15H21BrN2O3

SMILES: CCCOC1=CC(NC2CCCCC2)=C(C=C1Br)[N+]([O-])=O

IUPAC: 4-bromo-N-cyclohexyl-2-nitro-5-propoxyaniline

InChI: InChI=1S/C15H21BrN2O3/c1-2-8-21-15-10-13(14(18(19)20)9-12(15)16)17-11-6-4-3-5-7-11/h9-11,17H,2-8H2,1H3

Composition: C (50.43%), H (5.93%), Br (22.37%), N (7.84%), O (13.44%)

Molar Mass: 357.248

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	356.073556
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LRCWFJHWOTYXMB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	86.95
Topological Polar Surface Area	64.4
Polarizability	32.7
Ring Count	2
Rotatable Bond Count	6

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