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HCTU

CAT: 0926-FH15560-02Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FH15560-02Size:0.5 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
330645-87-9
Synonyms
O- (6-Chlorobenzotriazol-1-yl) -N, N, N', N'-tetramethyluronium hexafluorophosphate; N, N, N', N'-Tetramethyl-O- (6-chloro-1H-benzotriazol-1-y l) uronium hexafluorophosphate;1-[Bis (dimethylamino) methylen]-5-chlorobenzotriazolium 3-oxide hexafluorophosphate
MDL Number
MFCD08461911
Smiles
CN (C) C (=[N+] (C) C) ON1C2=C (C=CC (=C2) Cl) N=N1.F[P-] (F) (F) (F) (F) F
Molecular Formula
C11H15ClF6N5OP
Molecular Weight
413.69 g/mol
Controlled
No

Chemical Information

1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
CAS Number330645-87-9
PubChem CID24179320
IUPAC Name[(5-chloro-3-oxidobenzotriazol-3-ium-1-yl)-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
Molecular FormulaC11H15ClF6N5OP
Molecular Weight413.69
Topological Polar Surface Area49.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity394
SMILES
CN(C)C(=[N+](C)C)N1C2=C(C=C(C=C2)Cl)[N+](=N1)[O-].F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C11H15ClN5O.F6P/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
InChIKey
AFTGMAUNHUBGAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
CAS: 330645-87-9
CID: 24179320
Formula: C11H15ClF6N5OP
MW: 413.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.69
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass413.0606938
Monoisotopic Mass413.0606938
Topological Polar Surface Area49.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A7027-25000HCTU
MBS406580-01HCTU Reagent
73322-01HCTU extrapure, 98%
57471399-100gO- (1H-6-Chlorobenzotriazol-1-yl) -1,1,3,3-tetramethyluronium hexafluorophosphate (HCTU)
110205-01HCTU for Synthesis 98.0% (O- (6-Chlorobenzotriazol-1yl) -N, N, N, N-Tetramethyluronium Hexafluorophosphate)

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