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ORM-3819

CAT: 0926-KPA79485-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-KPA79485-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
360794-85-0
Smiles
CC1CC (=O) NN=C1C2=CC=C (C=C2) NN=CC3=C (C (=C (C=C3) O) OC) [N+] (=O) [O-]
Molecular Formula
C19H19N5O5
Molecular Weight
397.4 g/mol
Controlled
No

Chemical Information

(4R)-3-[4-[(2E)-2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Number360794-85-0
PubChem CID135544055
IUPAC Name(4R)-3-[4-[(2E)-2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC19H19N5O5
Molecular Weight397.4
XLogP2.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity656
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)N/N=C/C3=C(C(=C(C=C3)O)OC)[N+](=O)[O-]
InChI
InChI=1S/C19H19N5O5/c1-11-9-16(26)22-23-17(11)12-3-6-14(7-4-12)21-20-10-13-5-8-15(25)19(29-2)18(13)24(27)28/h3-8,10-11,21,25H,9H2,1-2H3,(H,22,26)/b20-10+/t11-/m1/s1
InChIKey
ZGGBTNDTFFNWRD-JZOCJUILSA-N
Chemical Structure
2D Structure
2D structure of (4R)-3-[4-[(2E)-2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS: 360794-85-0
CID: 135544055
Formula: C19H19N5O5
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass397.13861872
Monoisotopic Mass397.13861872
Topological Polar Surface Area141 Ų
Heavy Atom Count29
Formal Charge0
Complexity656
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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