2-Bromo-1-tetralone

CAT: 0127-OR75036-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR75036-01Size:1 g

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CAS Number

13672-07-6

MDL Number

MFCD00089999

Purity

98%

Smiles

O=C1C2=CC=CC=C2CCC1Br

Chemical Information

1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-

CAS Number	13672-07-6
PubChem CID	101120
IUPAC Name	2-bromo-3,4-dihydro-2H-naphthalen-1-one
Molecular Formula	C10H9BrO
Molecular Weight	225.08
XLogP	2.9
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=CC=CC=C2C(=O)C1Br

InChI

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

InChIKey

AYNCWMIFKFADCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13672-07-6

CID: 101120

Formula: C10H9BrO

MW: 225.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.08
XLogP3	2.9
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	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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