SKF 83566 hydrobromide

CAT: 0024-sc-361360ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-361360ASize:50 mg

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CAS Number

108179-91-5

Chemical Information

8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo(d)azepin-7-ol hydrobromide

CAS Number	108179-91-5
PubChem CID	23581817
IUPAC Name	8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrobromide
Molecular Formula	C17H19Br2NO
Molecular Weight	413.1
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	318

SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br

InChI

InChI=1S/C17H18BrNO.BrH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H

InChIKey

SDQJYYGODYRPBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108179-91-5

CID: 23581817

Formula: C17H19Br2NO

MW: 413.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	413.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	412.98129
Monoisotopic Mass	410.98334
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	318
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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