2-bromo-4-fluoro-N-methyl-6-nitroaniline

2-bromo-4-fluoro-N-methyl-6-nitroaniline

CAS: 1845693-81-3

Formula: C7H6BrFN2O2

SMILES: CNC1=C(Br)C=C(F)C=C1[N+]([O-])=O

IUPAC: 2-bromo-4-fluoro-N-methyl-6-nitroaniline

InChI: InChI=1S/C7H6BrFN2O2/c1-10-7-5(8)2-4(9)3-6(7)11(12)13/h2-3,10H,1H3

Composition: C (33.76%), H (2.43%), Br (32.08%), F (7.63%), N (11.25%), O (12.85%)

Molar Mass: 249.039

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.959669
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SRIAGXAZQFWSEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.41
Topological Polar Surface Area	55.17
Polarizability	18.06
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
93%	<5 Days	1845693-81-3		$44.14-$498.10$44.14$69.36$167.71$498.10