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Triazolam

CAT: 0926-FT137319-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FT137319-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28911-01-5
Smiles
ClC=1C=CC2=C (C1) C (=NCC3=NN=C (N32) C) C=4C=CC=CC4Cl
Molecular Formula
C17H12Cl2N4
Molecular Weight
343.21 g/mol
Controlled
Yes

Chemical Information

Triazolam

Triazolam can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number28911-01-5
PubChem CID5556
IUPAC Name8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular FormulaC17H12Cl2N4
Molecular Weight343.2
XLogP2.4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
InChIKey
JOFWLTCLBGQGBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triazolam
CAS: 28911-01-5
CID: 5556
Formula: C17H12Cl2N4
MW: 343.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.2
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass342.0439018
Monoisotopic Mass342.0439018
Topological Polar Surface Area43.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
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