N1-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N1-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

Formula: C9H10F3N3O2

SMILES: NCCNC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: N1-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

InChI: InChI=1S/C9H10F3N3O2/c10-9(11,12)6-1-2-7(14-4-3-13)8(5-6)15(16)17/h1-2,5,14H,3-4,13H2

Composition: C (43.38%), H (4.05%), F (22.87%), N (16.86%), O (12.84%)

Molar Mass: 249.193

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.072511063
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZKBIYCKAMFKCNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.5
Topological Polar Surface Area	81.19
Polarizability	19.88
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H10F3N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00