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I-Sydnocarb

CAT: 0572-TRC-S920005-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S920005-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73922-29-9
Synonyms
(R)- 3-(1-Methyl-2-phenylethyl)-5-[[(phenylamino)carbonyl]amino]-1,2,3-oxadiazolium Inner Salt
Hazard Statement
Harmful if swallowed
Smiles
C[C@@H]([N+]1=NOC([N-]C(NC2=CC=CC=C2)=O)=C1)CC3=CC=CC=C3
Molecular Formula
C18H18N4O2
Molecular Weight
322.36
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mesocarb, (R)-
CAS Number73922-29-9
PubChem CID109374154
IUPAC NameN-phenyl-N'-[3-[(2R)-1-phenylpropan-2-yl]oxadiazol-3-ium-5-yl]carbamimidate
Molecular FormulaC18H18N4O2
Molecular Weight322.4
XLogP4.9
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
C[C@H](CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=CC=C3)\[O-]
InChI
InChI=1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/t14-/m1/s1
InChIKey
OWFUPROYPKGHMH-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Mesocarb, (R)-
CAS: 73922-29-9
CID: 109374154
Formula: C18H18N4O2
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass322.14297583
Monoisotopic Mass322.14297583
Topological Polar Surface Area77.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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