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Mordant Orange 1

CAT: 0862-GT7206-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GT7206-100gSize:100 g
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CAS Number
2243-76-7
EC Number
218-818-3
MDL Number
MFCD00007313
HS Code
32041200
Molecular Formula
C13H9N3O5
Molecular Weight
287.23
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Mordant Orange 1
CAS Number2243-76-7
PubChem CID15588
IUPAC Name2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
Molecular FormulaC13H9N3O5
Molecular Weight287.23
XLogP4.1
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity415
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)
InChIKey
YVJPMMYYRNHJAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mordant Orange 1
CAS: 2243-76-7
CID: 15588
Formula: C13H9N3O5
MW: 287.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.23
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass287.05422040
Monoisotopic Mass287.05422040
Topological Polar Surface Area128 Ų
Heavy Atom Count21
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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