3- (4-Bromophenyl) cyclobutanol

CAT: 0127-OR470452Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR470452Size:1 Each

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CAS Number

1183047-51-9

MDL Number

MFCD12152571

Purity

=95%

Smiles

OC1CC(C1)c2ccc(Br)cc2

Chemical Information

Rac-(1s,3s)-3-(4-bromophenyl)cyclobutan-1-ol

CAS Number	1183047-51-9
PubChem CID	50990647
IUPAC Name	3-(4-bromophenyl)cyclobutan-1-ol
Molecular Formula	C10H11BrO
Molecular Weight	227.10
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	146

SMILES

C1C(CC1O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H11BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10,12H,5-6H2

InChIKey

DUZJORQWSPNAKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1183047-51-9

CID: 50990647

Formula: C10H11BrO

MW: 227.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.10
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	225.99933
Monoisotopic Mass	225.99933
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146
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
OR94644-01	1- (4-Bromophenyl) cyclobutanol
OR1097480	1- (3-Bromophenyl) -cyclobutanol
OR1093760-01	1- (2-bromophenyl) cyclobutanol
OR1084077-01	1- (3,4-dimethylphenyl) cyclobutanol
PC1010333-01	1- (3,4-difluorophenyl) cyclobutanol
OR1084427-01	1- (3,4-dimethoxyphenyl) cyclobutanol
OR1084431-01	1- (3,4-dichlorophenyl) cyclobutanol
OR87501-01	3-Amino-3- (4-chlorophenyl) cyclobutanol
OR1098586	(3-bromophenyl) (4-bromophenyl) methanone
OR1081610-01	(3-bromophenyl) (4-bromophenyl) methanol

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