2-NP-AMOZ-d5

CAT: 0024-sc-288272Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-288272Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1173097-59-0

Chemical Information

2-NP-AMOZ-d5

CAS Number	1173097-59-0
PubChem CID	71312589
IUPAC Name	4,4,5-trideuterio-5-[dideuterio(morpholin-4-yl)methyl]-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-oxazolidin-2-one
Molecular Formula	C15H18N4O5
Molecular Weight	339.36
XLogP	1.1
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	489

SMILES

[2H]C1(C(OC(=O)N1/N=C/C2=CC=CC=C2[N+](=O)[O-])([2H])C([2H])([2H])N3CCOCC3)[2H]

InChI

InChI=1S/C15H18N4O5/c20-15-18(11-13(24-15)10-17-5-7-23-8-6-17)16-9-12-3-1-2-4-14(12)19(21)22/h1-4,9,13H,5-8,10-11H2/b16-9+/i10D2,11D2,13D

InChIKey

PCYAMVONOKWOLP-ZHXFMVBBSA-N

Chemical Structure

2D Structure

CAS: 1173097-59-0

CID: 71312589

Formula: C15H18N4O5

MW: 339.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.36
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	339.15910342
Monoisotopic Mass	339.15910342
Topological Polar Surface Area	100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	489
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes