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Desalkylflurazepam-d4

CAT: 0926-LBC43001-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-LBC43001-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1286430-01-0
MDL Number
MFCD01861526
Smiles
C1C (=O) NC2=C (C=C (C=C2) Cl) C (=N1) C3=CC=CC=C3F
Molecular Formula
C15H10ClFN2O
Molecular Weight
292.73 g/mol
Controlled
Yes

Chemical Information

7-Chloro-5-(2,3,4,5-tetradeuterio-6-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CAS Number1286430-01-0
PubChem CID71316856
IUPAC Name7-chloro-5-(2,3,4,5-tetradeuterio-6-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular FormulaC15H10ClFN2O
Molecular Weight292.73
XLogP2.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity415
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C2=NCC(=O)NC3=C2C=C(C=C3)Cl)F)[2H])[2H]
InChI
InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)/i1D,2D,3D,4D
InChIKey
UVCOILFBWYKHHB-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-5-(2,3,4,5-tetradeuterio-6-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CAS: 1286430-01-0
CID: 71316856
Formula: C15H10ClFN2O
MW: 292.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.73
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass292.0716758
Monoisotopic Mass292.0716758
Topological Polar Surface Area41.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity415
Isotope Atom Count4
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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