1- (4-Bromophenyl) pentan-3-one

CAT: 0127-OR1048330-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1048330-01Size:100 mg

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CAS Number

1099653-55-0

MDL Number

MFCD11655248

Purity

95%

Smiles

CCC(CCC1=CC=C(Br)C=C1)=O

Chemical Information

1-(4-Bromophenyl)pentan-3-one

CAS Number	1099653-55-0
PubChem CID	43370362
IUPAC Name	1-(4-bromophenyl)pentan-3-one
Molecular Formula	C11H13BrO
Molecular Weight	241.12
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	159

SMILES

CCC(=O)CCC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H13BrO/c1-2-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3

InChIKey

OJRCYJXPCRXMLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1099653-55-0

CID: 43370362

Formula: C11H13BrO

MW: 241.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.12
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	240.01498
Monoisotopic Mass	240.01498
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
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
OR22410-01	1- (4-bromophenyl) pentan-1-one
OR1070011	1,5-Bis (4-bromophenyl) pentan-3-one
OR1094189-01	3- (4-bromophenyl) pentan-3-ol
OR1093821-01	1- (4-bromophenyl) pentan-1-ol
OR1084747-01	1- (3-bromophenyl) pentan-1-ol
OR312432-01	3- (4-Bromophenyl) bicyclo[1.1.1]pentan-1-amine
OR1099989-01	3- (3-bromophenyl) pentan-3-ol
OR1050455-01	1- (3,4-Dihydroxyphenyl) pentan-1-one
OR1087655-01	Bicyclo[1.1.1]pentan-1-yl (4-bromophenyl) sulfane
OR470019	4,4-Dimethyl-1- (3-pyridyl) pentan-3-one

Catalog	Name
ZTB65355-01	1- (4-Bromophenyl) pentan-3-one
TKC92751-01	2- (3-Bromophenyl) pentan-3-one
AZB49345-01	5- (4-Bromophenyl) pentan-2-one
GJC85680-01	2- (3-Bromophenyl) pentan-3-amine
WZC25183-01	[2- (4-Bromophenyl) ethyl] (pentan-3-yl) amine
GMB43020-01	5- (3-Bromophenyl) pentan-1-ol
FH MW 0086-01	3- (4-bromophenyl) -1,5-diphenyl-3- (2-phenylethyl) pentan-1-one
ZZC74194-01	[2- (4-Bromophenyl) ethyl] (pentan-2-yl) amine
VKC30963-01	4-{[ (2-Bromophenyl) methyl]amino}pentan-1-ol
AAC01383-01	2- (Pentan-3-yl) -3,4-dihydropyrimidin-4-one