3-bromo-5-(trifluoromethoxy)benzene-1,2-diamine

3-bromo-5-(trifluoromethoxy)benzene-1,2-diamine

CAS: 1191922-50-5

Formula: C7H6BrF3N2O

SMILES: NC1=CC(OC(F)(F)F)=CC(Br)=C1N

IUPAC: 3-bromo-5-(trifluoromethoxy)benzene-1,2-diamine

InChI: InChI=1S/C7H6BrF3N2O/c8-4-1-3(14-7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2

Composition: C (31.02%), H (2.23%), Br (29.48%), F (21.03%), N (10.34%), O (5.90%)

Molar Mass: 271.037

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.96156
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NWUBWBRCEFGWHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.15
Topological Polar Surface Area	61.27
Polarizability	17.83
Ring Count	1
Rotatable Bond Count	2

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90%	<2 Days	1191922-50-5		$51.35-$86.31$51.35$63.37$86.31