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

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

CAS: 113170-72-2

Formula: C7H6BrF3N2

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

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

InChI: InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2

Composition: C (32.97%), H (2.37%), Br (31.33%), F (22.35%), N (10.98%)

Molar Mass: 255.038

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.966646
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OVGAPUVMLZWQQF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.06
Topological Polar Surface Area	52.04
Polarizability	17.02
Ring Count	1
Rotatable Bond Count	1

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