1-[2- (4-Bromophenyl) ethynyl]cyclohexanol

CAT: 0127-OR1082401-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082401-01Size:250 mg

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CAS Number

1334217-14-9

Purity

95%

Smiles

C (#Cc1ccc (Br) cc1) C1 (O) CCCCC1

Chemical Information

1-[2-(4-Bromophenyl)ethynyl]cyclohexanol

CAS Number	1334217-14-9
PubChem CID	177689349
IUPAC Name	1-[2-(4-bromophenyl)ethynyl]cyclohexan-1-ol
Molecular Formula	C14H15BrO
Molecular Weight	279.17
XLogP	3.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	284

SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H15BrO/c15-13-6-4-12(5-7-13)8-11-14(16)9-2-1-3-10-14/h4-7,16H,1-3,9-10H2

InChIKey

SANLMHAZWAPCET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1334217-14-9

CID: 177689349

Formula: C14H15BrO

MW: 279.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.17
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	278.03063
Monoisotopic Mass	278.03063
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	284
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
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OR1094466-01	1-[ (2-methylphenyl) ethynyl]-Cyclohexanol

Catalog	Name
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TRC-A601950-500MG	trans-4-[[(2-Amino-5-bromophenyl)methyl]amino]-cyclohexanol Hydrobromide
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