Flunitrazepam-d7

CAT: 0926-LBC44808-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-LBC44808-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1286448-08-5

Smiles

CN1C (=O) CN=C (C2=C1C=CC (=C2) [N+] (=O) [O-]) C3=CC=CC=C3F

Molecular Formula

C16H12FN3O3

Molecular Weight

320.33 g/mol

Controlled

Yes

Chemical Information

7-nitro-5-(2,3,4,5-tetradeuterio-6-fluorophenyl)-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-one

CAS Number	1286448-08-5
PubChem CID	45358984
IUPAC Name	7-nitro-5-(2,3,4,5-tetradeuterio-6-fluorophenyl)-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-one
Molecular Formula	C16H12FN3O3
Molecular Weight	320.33
XLogP	2.1
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	519

SMILES

[2H]C1=C(C(=C(C(=C1[2H])C2=NCC(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])C([2H])([2H])[2H])F)[2H])[2H]

InChI

InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3/i1D3,2D,3D,4D,5D

InChIKey

PPTYJKAXVCCBDU-AAYPNNLASA-N

Chemical Structure

2D Structure

CAS: 1286448-08-5

CID: 45358984

Formula: C16H12FN3O3

MW: 320.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.33
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	320.13020664
Monoisotopic Mass	320.13020664
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	519
Isotope Atom Count	7
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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