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Disperse Orange 37

CAT: 0572-TRC-D493490-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D493490-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13301-61-6
Hazard Statement
May cause an allergic skin reaction
Smiles
CCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-]
Molecular Formula
C17 H15 Cl2 N5 O2
Molecular Weight
392.24
InChI
InChI=1S/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3/b22-21+
Additionnal Information
IUPAC name: 3-[4-[(E)-(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Disperse Orange 37
CAS Number13301-61-6
PubChem CID83322
IUPAC Name3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.2
XLogP5
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity527
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3
InChIKey
KHZRTXVUEZJYNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disperse Orange 37
CAS: 13301-61-6
CID: 83322
Formula: C17H15Cl2N5O2
MW: 392.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.2
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass391.0602801
Monoisotopic Mass391.0602801
Topological Polar Surface Area97.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity527
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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