4- (2-bromophenoxy) butanoic acid

CAT: 0926-HFA90225-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-HFA90225-01Size:100 mg

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CAS Number

132902-25-1

MDL Number

MFCD09706702

Smiles

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

Molecular Formula

C10H11BrO3

Molecular Weight

259.1 g/mol

Controlled

Yes

Chemical Information

4-(2-Bromophenoxy)butanoic acid

CAS Number	132902-25-1
PubChem CID	15070117
IUPAC Name	4-(2-bromophenoxy)butanoic acid
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	184

SMILES

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

InChI

InChI=1S/C10H11BrO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)

InChIKey

RFXWFHPAPWPKCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132902-25-1

CID: 15070117

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	184
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
FB54217-01	4- (4-Bromophenoxy) butanoic acid
VGA63888-01	4- (3-bromophenoxy) butanoic acid
LCA53237-01	2- (4-Bromophenoxy) nicotinic acid
NMB14743-01	2- (4-Bromophenoxy) -2-phenylacetic acid
DWB77634-01	2- (4-Bromophenoxy) -2,2-difluoroacetic acid
NCA40328-01	2- (4-Bromophenoxy) -3-methylbutanoic acid
ZAB55605-01	4- (2-Chloroacetamido) butanoic acid
QDA84147-01	4- (2-bromophenyl) butanoic acid
LIC70745-01	2- (4-Methylcyclohexyl) butanoic acid
RQB77083-01	4- (2-Ethoxyethoxy) butanoic acid

Catalog	Name
sc-347617	4- (2-bromophenoxy) butanoic acid
sc-305456	2- (4-Bromophenoxy) butanoic acid
266216-01	4- (4-Bromophenoxy) butanoic acid
279738-01	2- (Hydroxymethyl) butanoic acid
sc-282737	2- (dimethylamino) butanoic acid
OR86542	2- (Cyclopentylmethyl) butanoic acid
TRC-H946455-10MG	2-(Hydroxymethyl)butanoic Acid
OR1055283-01	2- (Phenylamino) butanoic acid
sc-304850	2- (2-Naphthyloxy) butanoic acid
sc-304627	2- (2-Chlorophenoxy) butanoic acid