7-Bromo-2-tetralone

CAT: 0127-OR74363-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR74363-01Size:100 mg

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CAS Number

132095-54-6

MDL Number

MFCD04038486

Purity

97%

Smiles

O=C1CC (C=C (Br) C=C2) =C2CC1

Chemical Information

7-Bromo-2-tetralone

CAS Number	132095-54-6
PubChem CID	3691574
IUPAC Name	7-bromo-3,4-dihydro-1H-naphthalen-2-one
Molecular Formula	C10H9BrO
Molecular Weight	225.08
XLogP	2.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	190

SMILES

C1CC2=C(CC1=O)C=C(C=C2)Br

InChI

InChI=1S/C10H9BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2

InChIKey

NCTYMQMYDHAKCE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132095-54-6

CID: 3691574

Formula: C10H9BrO

MW: 225.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.08
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	223.98368
Monoisotopic Mass	223.98368
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190
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
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OR85426-01	6,7-Dimethoxyl-2-tetralone
PC102532-01	6,7-difluoro-2-tetralone
OR88716-01	6,7-Dichloro-2-tetralone
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