1- (4-Bromophenyl) cyclopentanol

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CAS Number

865204-03-1

MDL Number

MFCD18205681

Smiles

C1c (ccc (c1) Br) C1 (CCCC1) O

Chemical Information

1-(4-Bromophenyl)cyclopentan-1-ol

CAS Number	865204-03-1
PubChem CID	23154289
IUPAC Name	1-(4-bromophenyl)cyclopentan-1-ol
Molecular Formula	C11H13BrO
Molecular Weight	241.12
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	167

SMILES

C1CCC(C1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6,13H,1-2,7-8H2

InChIKey

KXEZRQJDHKLSHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 865204-03-1

CID: 23154289

Formula: C11H13BrO

MW: 241.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.12
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	240.01498
Monoisotopic Mass	240.01498
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167
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
OR1097423-01	2- (4-bromophenyl) cyclopentanol
OR1092207-01	1-[2- (4-Bromophenyl) ethynyl]cyclopentanol
OR1085580-01	1- (2-bromophenyl) cyclopentanol
OR1097113-01	1- (4-Bromophenyl) cycloheptanol
OR1082575-01	1- (4-propylphenyl) cyclopentanol
PC1025133-01	1- (4-fluorophenyl) cyclopentanol
OR1081562-01	1- (4-ethylphenyl) cyclopentanol
OR1084292-01	1- (4-cyclohexylphenyl) cyclopentanol
OR1093912-01	1- (4-chlorophenyl) cyclopentanol
OR1089982-01	1- (4-phenoxyphenyl) cyclopentanol

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