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NITROBENZENE-D5

Catalog Number ACM4165600-3
CAS 4165-60-0
Structure Structure
Synonyms 1,2,3,4,5-pentadeuterio-6-nitrobenzene1-nitro(2H5)benzene4165-60-0AC1L3W3LACM4165600AKOS015888357Benzene-1,2,3,4,5-d5,6-nitro-Benzene-D5-, nitro-Benzene-d5, nitro-C6-D5-N-O2See more synonymsC6D5NO2CID123210CS-T-59336DTXSID6049690EINECS 224-014-3I01-10344LQNUZADURLCDLV-RALIUCGRSA-NMFCD00044415Nitro(2H5)benzeneNitrobenzene D5 100 microg/mL in AcetoneNitrobenzene-[D5] (1,000 - 10,000 microg/ml) in dichloromethaneNitrobenzene-d5, 99.5 atom % DNitrobenzene-d5, analytical standardNitrobenzene-d5, for NMR, 99 atom % DOil of mirbaneSCHEMBL1332838[2H5]Benzene, nitro-1,2,3,4,5-Pentadeuterio-6-nitrobenzene6-Nitrobenzene-1,2,3,4,5-d5Benzene-1,2,3,4,5-d5, 6-nitro-Benzene-d5, nitro-Nitrobenzene-d5PentadeuterionitrobenzenePerdeuteronitrobenzenenitro(~2~H_5_)benzene
Molecular Weight 128.1402
InChI InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChI Key LQNUZADURLCDLV-RALIUCGRSA-N
Boiling Point 88 °C12 Mm Hg(Lit.)
Melting Point 6°C
Flash Point 190 °F
Appearance Liquid
Storage Room Temperature
Chemical Formula C6D5NO2
MDL Number MFCD00044415
Notes Complexity : 102.
Compound Is Canonicalized : Yes.
Covalently-Bonded Unit Count : 1.
Defined Atom Stereocenter Count : 0.
Defined Bond Stereocenter Count : 0.
EC Number: 224-014-3.
Exact Mass : 128.063g/mol.
Formal Charge : 0.
Heavy Atom Count : 9.
Hydrogen Bond Acceptor Count : 2.
Hydrogen Bond Donor Count : 0.
IUPAC Name: 1,2,3,4,5-pentadeuterio-6-nitrobenzene.
Isotope Atom Count : 5.
Monoisotopic Mass : 128.063g/mol.
Rotatable Bond Count : 0.
Topological Polar Surface Area : 45.8A^2.
Undefined Atom Stereocenter Count : 0.
Undefined Bond Stereocenter Count : 0.
XLogP3 : 1.9.
Size 1g
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