3- (3-Bromophenyl) -cyclobutanone

CAT: 0024-sc-357578Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-357578Size:10 mg

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CAS Number

885267-15-2

Chemical Information

3-(3-Bromophenyl)cyclobutan-1-one

CAS Number	885267-15-2
PubChem CID	17750101
IUPAC Name	3-(3-bromophenyl)cyclobutan-1-one
Molecular Formula	C10H9BrO
Molecular Weight	225.08
XLogP	2.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	182

SMILES

C1C(CC1=O)C2=CC(=CC=C2)Br

InChI

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

InChIKey

RLKCJCIUTBLVRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885267-15-2

CID: 17750101

Formula: C10H9BrO

MW: 225.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.08
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	223.98368
Monoisotopic Mass	223.98368
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182
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
sc-503755	3- (Benzyloxy) cyclobutanone
sc-344555A	3- (chloromethyl) cyclobutanone
sc-283578	3- (Benzyloxymethyl) cyclobutanone
sc-283578A	3- (Benzyloxymethyl) cyclobutanone
sc-344555	3- (chloromethyl) cyclobutanone
sc-257266	Cyclobutanone
sc-358622A	3- (3-Bromo-phenyl) -cyclobutanone O-cyclobutyl-oxime
sc-358622	3- (3-Bromo-phenyl) -cyclobutanone O-cyclobutyl-oxime
sc-280322A	3- (3-Bromophenyl) propionitrile
sc-280322	3- (3-Bromophenyl) propionitrile

Catalog	Name
EKA89291-01	3- (4-Bromophenyl) cyclobutanone
LIC71356-01	3- (Difluoromethyl) cyclobutanone
OR317135	3- (Bromomethyl) cyclobutanone
OR85879-01	3- (Methoxymethyl) cyclobutanone
TRC-D432053-1G	3-(Dimethylphenylsilyl)-cyclobutanone
423202-01	3- (Dimethylphenylsilyl) -cyclobutanone
423077-01	3- (Benzyloxy) cyclobutanone
CGA71408-01	3- (3-Chlorophenyl) cyclobutanone
RGC32322-01	3- (aminomethyl) cyclobutanone hcl
FFA36909	3- (Boc-aminomethyl) cyclobutanone