1-cyano-N-[4-(trifluoromethoxy)phenyl]methanecarbohydrazonoyl cyanide

1-cyano-N-[4-(trifluoromethoxy)phenyl]methanecarbohydrazonoyl cyanide

CAS: 370-86-5

Formula: C10H5F3N4O

SMILES: FC(F)(F)OC1=CC=C(NN=C(C#N)C#N)C=C1

IUPAC: 1-cyano-N-[4-(trifluoromethoxy)phenyl]methanecarbohydrazonoyl cyanide

InChI: InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H

Composition: C (47.26%), H (1.98%), F (22.42%), N (22.04%), O (6.29%)

Molar Mass: 254.172

Atom Count: 23

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.041545286
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BMZRVOVNUMQTIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.55
Topological Polar Surface Area	81.2
Polarizability	19.5
Ring Count	1
Rotatable Bond Count	4

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