2- (2-Bromophenyl) -1-cyclopropylethan-1-one

CAT: 0926-CNB72266-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CNB72266-01Size:50 mg

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CAS Number

952722-66-6

MDL Number

MFCD12153382

Smiles

C1CC1C (=O) CC2=CC=CC=C2Br

Molecular Formula

C11H11BrO

Molecular Weight

239.11 g/mol

Controlled

Chemical Information

2-(2-Bromophenyl)-1-cyclopropylethan-1-one

CAS Number	952722-66-6
PubChem CID	60798963
IUPAC Name	2-(2-bromophenyl)-1-cyclopropylethanone
Molecular Formula	C11H11BrO
Molecular Weight	239.11
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	198

SMILES

C1CC1C(=O)CC2=CC=CC=C2Br

InChI

InChI=1S/C11H11BrO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2

InChIKey

BYVKUXNQXYWCCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 952722-66-6

CID: 60798963

Formula: C11H11BrO

MW: 239.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.11
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	237.99933
Monoisotopic Mass	237.99933
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
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
VEC65684-01	1- (3-Bromophenyl) -2-cyclopropylethan-1-one
IXB97764-01	2- (4-Bromophenyl) -1-cyclopropylethan-1-ol
AGA32269-01	2- (2-Chlorophenyl) -1-cyclopropylethan-1-one
AHC36732-01	1- (3-Chlorophenyl) -2-cyclopropylethan-1-one
UEA90227-01	2-Amino-1-cyclopropylethan-1-one hydrochloride
ECA83912-01	1- (4-chlorophenyl) -2-cyclopropylethan-1-one
GCA59496-01	2- (4-Chlorophenyl) -1-cyclopropylethan-1-one
AXB69801-01	2- (3-Chlorophenyl) -1-cyclopropylethan-1-one
BGB31565-01	2- (Benzylamino) -2-cyclopropylethan-1-ol
KJC70153-01	1- (3-Chloro-4-fluorophenyl) -2-cyclopropylethan-1-one

Catalog	Name
OR1021250	2-Chloro-1-cyclopropylethan-1-one
OR77397-01	2-Amino-1-cyclopropylethan-1-ol
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OR451109-01	2-Amino-2-cyclopropylethan-1-ol hydrochloride
OR1047057-01	2- (Benzylamino) -2-cyclopropylethan-1-ol hydrochloride
OR346561	1- (2-Bromophenyl) propan-1-one
OR84850-01	1- (2-Bromophenyl) -2-methylpropan-1-one
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OR1060869-01	1- (2-Bromophenyl) azetidin-2-one