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KN 92

CAT: 0926-KVB28028-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-KVB28028-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135280-28-2
MDL Number
MFCD24369012
Smiles
CN (C/C=C/C1=CC=C (C=C1) Cl) CC2=CC=CC=C2NS (=O) (=O) C3=CC=C (C=C3) OC.OP (=O) (O) O
Molecular Formula
C24H25ClN2O3S·H3PO4
Molecular Weight
554.98 g/mol
Controlled
No

Chemical Information

KN-92 phosphate
CAS Number1135280-28-2
PubChem CID16219540
IUPAC NameN-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide;phosphoric acid
Molecular FormulaC24H28ClN2O7PS
Molecular Weight555.0
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity700
SMILES
CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)OC.OP(=O)(O)O
InChI
InChI=1S/C24H25ClN2O3S.H3O4P/c1-27(17-5-6-19-9-11-21(25)12-10-19)18-20-7-3-4-8-24(20)26-31(28,29)23-15-13-22(30-2)14-16-23;1-5(2,3)4/h3-16,26H,17-18H2,1-2H3;(H3,1,2,3,4)/b6-5+;
InChIKey
XRQHWVVDNMJDEQ-IPZCTEOASA-N
Chemical Structure
2D Structure
2D structure of KN-92 phosphate
CAS: 1135280-28-2
CID: 16219540
Formula: C24H28ClN2O7PS
MW: 555.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass554.1043371
Monoisotopic Mass554.1043371
Topological Polar Surface Area145 Ų
Heavy Atom Count36
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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