AG003JVH

73899-14-6 | 3-Phenyl-3-(trifluoromethyl)-3H-diazirine

AG003JVH

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CAS Number	73899-14-6
Catalog Number	AG003JVH(AGN-PC-0NG5OV)
Chemical Name	3-Phenyl-3-(trifluoromethyl)-3H-diazirine
IUPAC Name	3-phenyl-3-(trifluoromethyl)diazirine
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)7(12-13-7)6-4-2-1-3-5-6/h1-5H
InChI Key	IXEVBKYJNFWMPR-UHFFFAOYSA-N
MDL Number	MFCD22041649
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	FC(C1(C2=CC=CC=C2)N=N1)(F)F
Synonyms	3-Phenyl-3-(trifluoromethyl)-3H-diazirine, 73899-14-6, 3-phenyl-3-(trifluoromethyl)diazirine, 3H-Diazirine, 3-phenyl-3-(trifluoromethyl)-, ACMC-209ost, SCHEMBL80368, CTK8B2260, DTXSID70455765, 3-Trifluoromethyl-3-phenyldiazirine, ANW-36411, ZINC38266279, 3-(trifluoromethyl)-3-phenyldiazirine, AKOS025243488, AKOS027320640, FCH1583069, TRA0041008, KS-000013P1, 3-Phenyl-3-trifluoromethyl-3H-diazirine, 3-(Trifluoromethyl)-3-phenyl-3H-diazirine, TC-125156, FT-0673850, P1963, CID11116743,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	24.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number