4-Bromophenyl cyclohexyl ketone

CAT: 0926-DAA27779-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-DAA27779-01Size:100 mg

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CAS Number

3277-79-0

MDL Number

MFCD03841351

Smiles

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

Molecular Formula

C13H15BrO

Molecular Weight

267.16 g/mol

Controlled

Chemical Information

(4-Bromophenyl)(cyclohexyl)methanone

CAS Number	3277-79-0
PubChem CID	24261645
IUPAC Name	(4-bromophenyl)-cyclohexylmethanone
Molecular Formula	C13H15BrO
Molecular Weight	267.16
XLogP	4.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	213

SMILES

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

InChI

InChI=1S/C13H15BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10H,1-5H2

InChIKey

OSZVBPMTWSMMRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3277-79-0

CID: 24261645

Formula: C13H15BrO

MW: 267.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.16
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	266.03063
Monoisotopic Mass	266.03063
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213
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
DAA27780-01	4-Chlorophenyl cyclohexyl ketone
YKB79060-01	4-Bromophenyl cyclobutyl ketone
FB41574-01	Benzyl 4-bromophenyl ketone
FC71548-01	Cyclohexyl ethyl ketone
BAB60332-01	[1- (4-Bromophenyl) cyclohexyl]methanamine
UTB76669-01	[1- (3-Bromophenyl) cyclohexyl]methanamine
PZC07345-01	[1- (2-Bromophenyl) cyclohexyl]methanamine hydrochloride
FB67394-01	4-Bromophenylpentyl ketone
RFA34508-01	4-Cyclohexyl-butyne
FM70705-01	4-Methoxybenzyl-4-methoxyphenyl ketone

Catalog	Name
sc-216785	4-Benzyloxy-cyclohexyl Ketone (Mixture of Diastereomers)
sc-227333	Benzyl 4-bromophenyl ketone
269530-01	Cyclohexyl phenyl ketone
OR1041555-01	Cyclohexyl ethyl ketone
OR1098761-01	(4-bromophenyl) (cyclohexyl) sulfane
OR1096391	(4-bromophenyl) (cyclohexyl) methanol
OR77813-01	(4-Bromophenyl) (cyclohexyl) methanone
445310-01	Cyclohexyl Vinyl Ketone
sc-278894	Cyclohexyl methyl ketone
TRC-C988027-1G	Cyclohexyl-1-cyclohexenyl Ketone