Brallobarbital

CAT: 0926-AAA56186-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-AAA56186-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

561-86-4

Smiles

C=CCC1 (C (=O) NC (=O) NC1=O) CC (=C) Br

Molecular Formula

C10H11BrN2O3

Molecular Weight

287.11 g/mol

Controlled

Yes

Chemical Information

Brallobarbital

Brallobarbital is a member of barbiturates.

CAS Number	561-86-4
PubChem CID	68416
IUPAC Name	5-(2-bromoprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Molecular Formula	C10H11BrN2O3
Molecular Weight	287.11
XLogP	1.5
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	370

SMILES

C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br

InChI

InChI=1S/C10H11BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3H,1-2,4-5H2,(H2,12,13,14,15,16)

InChIKey

DYODAJAEQDVYFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 561-86-4

CID: 68416

Formula: C10H11BrN2O3

MW: 287.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.11
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	285.99530
Monoisotopic Mass	285.99530
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	370
Isotope Atom Count	0
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

Catalog	Name
TRC-B676750-10MG	Brallobarbital
GTR19241795-01	Brallobarbital calcium