5- (4-Bromophenyl) pentan-2-one

CAT: 0926-AZB49345-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-AZB49345-01Size:50 mg

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CAS Number

1225493-45-7

MDL Number

MFCD16321407

Smiles

CC (=O) CCCC1=CC=C (C=C1) Br

Molecular Formula

C11H13BrO

Molecular Weight

241.12 g/mol

Controlled

Chemical Information

5-(4-Bromophenyl)pentan-2-one

CAS Number	1225493-45-7
PubChem CID	54280695
IUPAC Name	5-(4-bromophenyl)pentan-2-one
Molecular Formula	C11H13BrO
Molecular Weight	241.12
XLogP	3.1
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

CC(=O)CCCC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H13BrO/c1-9(13)3-2-4-10-5-7-11(12)8-6-10/h5-8H,2-4H2,1H3

InChIKey

RQONWWZFAQLHMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1225493-45-7

CID: 54280695

Formula: C11H13BrO

MW: 241.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.12
XLogP3	3.1
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
ZTB65355-01	1- (4-Bromophenyl) pentan-3-one
TKC92751-01	2- (3-Bromophenyl) pentan-3-one
ZZC74194-01	[2- (4-Bromophenyl) ethyl] (pentan-2-yl) amine
GMB43020-01	5- (3-Bromophenyl) pentan-1-ol
XZB22615-01	5- (Thiomorpholin-4-yl) pentan-2-one
WZC25183-01	[2- (4-Bromophenyl) ethyl] (pentan-3-yl) amine
VKC30963-01	4-{[ (2-Bromophenyl) methyl]amino}pentan-1-ol
TBA01861-01	5- (Dimethylamino) pentan-2-one
CPC79935-01	5- (2,2-Dimethylthiomorpholin-4-yl) pentan-2-one
GJC85680-01	2- (3-Bromophenyl) pentan-3-amine

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