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Seclazone

CAT: 0931-T34597-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T34597-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29050-11-1
Target
Others
Related Pathways
Others
Bioactivity
Seclazone is a biochemical.
Smiles
Clc1ccc2OC3CCON3C(=O)c2c1
Molecular Formula
C10H8ClNO3
Molecular Weight
225.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Seclazone

was MH 1975-91 (see under OXAZINES 1975-90)

CAS Number29050-11-1
PubChem CID34443
IUPAC Name7-chloro-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
Molecular FormulaC10H8ClNO3
Molecular Weight225.63
XLogP2.1
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity286
SMILES
C1CON2C1OC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C10H8ClNO3/c11-6-1-2-8-7(5-6)10(13)12-9(15-8)3-4-14-12/h1-2,5,9H,3-4H2
InChIKey
XWXVKXXKKLBDDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Seclazone
CAS: 29050-11-1
CID: 34443
Formula: C10H8ClNO3
MW: 225.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.63
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass225.0192708
Monoisotopic Mass225.0192708
Topological Polar Surface Area38.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784100Seclazone

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