4-chloro-5-(trifluoromethyl)benzene-1,2-diamine

4-chloro-5-(trifluoromethyl)benzene-1,2-diamine

CAS: 157590-59-5

Formula: C7H6ClF3N2

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

IUPAC: 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine

InChI: InChI=1S/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2

Composition: C (39.93%), H (2.87%), Cl (16.83%), F (27.07%), N (13.30%)

Molar Mass: 210.58

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.0171604
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BUSGYQISMPLVIJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.24
Topological Polar Surface Area	52.04
Polarizability	15.85
Ring Count	1
Rotatable Bond Count	1

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