4-bromo-N-butyl-5-fluoro-2-nitroaniline

4-bromo-N-butyl-5-fluoro-2-nitroaniline

CAS: 1280786-63-1

Formula: C10H12BrFN2O2

SMILES: CCCCNC1=CC(F)=C(Br)C=C1[N+]([O-])=O

IUPAC: 4-bromo-N-butyl-5-fluoro-2-nitroaniline

InChI: InChI=1S/C10H12BrFN2O2/c1-2-3-4-13-9-6-8(12)7(11)5-10(9)14(15)16/h5-6,13H,2-4H2,1H3

Composition: C (41.26%), H (4.15%), Br (27.45%), F (6.53%), N (9.62%), O (10.99%)

Molar Mass: 291.12

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.006619
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MADGKUFFNLQJMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.29
Topological Polar Surface Area	55.17
Polarizability	23.42
Ring Count	1
Rotatable Bond Count	5

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