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Home> Hot Product Listed T   > T6558169
58315-38-1 structure

T6558169

Iupac Name:1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CAS No.:58315-38-1
Molecular Weight:275.231
Molecular Formula:C15H20N4O2 (isomer)
Names and Identifiers
Synonyms

MCULE-8569625177 MOLPORT-009-543-762 n-[1-(oxolan-2-yl)ethyl]-3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide Z393053390

Inchi
InChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
InChkey
YOBUPGXTLFRIJD-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Properties
Melting Point
65 °C
Refractive Index
1.515
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36;S37;S39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 58315-38-1 EC: T6558169 ·ECHA C&L Inventory for CAS: CAS: 58315-38-1 EC: T6558169
Computational chemical data
  • Molecular Weight:275.231g/mol
  • Molecular Formula:C15H20N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:275.088
  • Monoisotopic Mass:275.088
  • Complexity:326
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:61.1A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMYAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHQAUAAAADAjBGBQwwIPQQACB AiRCQwCCAAAhAgAoiIAIdIoIYCLAkZGUIAhgkIDIyAcQgAAOCAAAQAAAACAQAACAAAAAQAAAAAAA AA==
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