5-bromo-4-fluoro-N1-methylbenzene-1,2-diamine

5-bromo-4-fluoro-N1-methylbenzene-1,2-diamine

CAS: 1600342-90-2

Formula: C7H8BrFN2

SMILES: CNC1=CC(Br)=C(F)C=C1N

IUPAC: 5-bromo-4-fluoro-N1-methylbenzene-1,2-diamine

InChI: InChI=1S/C7H8BrFN2/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3,11H,10H2,1H3

Composition: C (38.38%), H (3.68%), Br (36.48%), F (8.67%), N (12.79%)

Molar Mass: 219.057

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.985489
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	IKSDDPCSFJLJBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.79
Topological Polar Surface Area	38.05
Polarizability	17.1
Ring Count	1
Rotatable Bond Count	1

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