(4-Bromophenyl) cyclopropylmethanone

CAT: 0926-FB09463-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FB09463-01Size:25 g

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CAS Number

6952-89-2

Synonyms

(4-BROMOPHENYL) CYCLOPROP;4-Bromophenyl cyclopropyl ketone; Methanone

MDL Number

MFCD00019227

Smiles

C1CC1C (=O) C2=CC=C (C=C2) Br

Molecular Formula

C10H9BrO

Molecular Weight

225.09 g/mol

Controlled

Chemical Information

4-Bromophenyl cyclopropyl ketone

CAS Number	6952-89-2
PubChem CID	81394
IUPAC Name	(4-bromophenyl)-cyclopropylmethanone
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	2
Heavy Atom Count	12
Formal Charge	0
Complexity	178

SMILES

C1CC1C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

InChIKey

QTHHOINSCNBYQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6952-89-2

CID: 81394

Formula: C10H9BrO

MW: 225.08

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	225.08
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	223.98368
Monoisotopic Mass	223.98368
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178
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

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Catalog	Name
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