2-Bromo-1-phenylhexan-1-one

CAT: 0127-OR1063228-02Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1063228-02Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

59774-06-0

Purity

98%

Smiles

CCCCC(Br)C(C1=CC=CC=C1)=O

Chemical Information

2-Bromo-1-phenylhexan-1-one

CAS Number	59774-06-0
PubChem CID	10611006
IUPAC Name	2-bromo-1-phenylhexan-1-one
Molecular Formula	C12H15BrO
Molecular Weight	255.15
XLogP	4.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	173

SMILES

CCCCC(C(=O)C1=CC=CC=C1)Br

InChI

InChI=1S/C12H15BrO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

InChIKey

MQIJCWVCTPNMKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59774-06-0

CID: 10611006

Formula: C12H15BrO

MW: 255.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.15
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	254.03063
Monoisotopic Mass	254.03063
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1024867-01	1-Phenylhexan-2-One
OR74560-01	1-Phenylhexan-3-one
OR1049514-01	6-Phenylhexan-2-one
OR73599-01	2-Bromo-1-cyclohexylethan-1-one
OR1025215-01	2-Bromo-1-Phenylpentan-1-One
OR1058735-01	2-Bromo-1- (3-bromo-2-hydroxyphenyl) ethan-1-one
PC104052	2-Bromo-1- (2-bromo-4,6-difluorophenyl) ethan-1-one
OR9719-01	2-Bromo- (5-bromo-1-benzofuran-2-yl) ethan-1-one
OR346563	2-Bromo-1- (2-methoxyphenyl) propan-1-one
OR94990-01	2-Bromo-2-methyl-1-morpholinopropan-1-one

Catalog	Name
59774-06-0	2-bromo-1-phenylhexan-1-one
TAA41062-01	2- (Ethylamino) -1-phenylhexan-1-one, hydrochloride
ABA55217-01	5-Methyl-1-phenylhexan-1-one
SDA77983-01	1-Phenylhexan-1-amine
PAA17189-01	6-Phenylhexan-2-one
FAA39165-01	1-Phenylhexan-3-amine
B508185	2-Bromo-1-phenylheptan-1-one
FGA41218-01	2-Bromo-1-cycloheptylethan-1-one
AAA87735-01	2-Bromo-1-phenylbutan-1-one
JBA65066-01	2-Bromo-1-cyclopropylpropan-1-one