8-Bromooctanoic acid

CAT: 0926-FB19274-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FB19274-01Size:0.1 Kg

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CAS Number

17696-11-6

Synonyms

8-Bromocaprylic acid

MDL Number

MFCD00004430

Smiles

C (CCCC (=O) O) CCCBr

Molecular Formula

C8H15BrO2

Molecular Weight

223.11 g/mol

Controlled

Chemical Information

8-Bromooctanoic acid

CAS Number	17696-11-6
PubChem CID	548275
IUPAC Name	8-bromooctanoic acid
Molecular Formula	C8H15BrO2
Molecular Weight	223.11
XLogP	1.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	104

SMILES

C(CCCC(=O)O)CCCBr

InChI

InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)

InChIKey

BKJFDZSBZWHRNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17696-11-6

CID: 548275

Formula: C8H15BrO2

MW: 223.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.11
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	222.02554
Monoisotopic Mass	222.02554
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	104
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
YDA46203	8-Hydroxyeicosatetraenoic acid
FH167238-01	8-Hydroxypenillic acid
BAA79562-01	8-Chlorooctanoic acid
ABA54264-01	8-Oxononanoic acid
GBA64267	8-Nonenoic Acid
FM25289-01	8-Methoxycarbonyloctanoic acid
FAA61799-01	8-Cyclopropyloctanoic acid
AAA92948-01	8-Oxo-octanoic acid
CBA99181-01	8-Aminooctanoic acid hydrochloride
GBA45716-01	Chroman-8-carboxylic acid

Catalog	Name
sc-207197	8-Bromooctanoic Acid
B23270-01	8-Bromooctanoic acid 95%
sc-237950	2-Bromooctanoic acid
GTR19262702-01	(S, R, S) -AHPC-Me-8-bromooctanoic acid
B23260	2-Bromooctanoic acid 97%
HY-179435	(S, R, S) -AHPC-Bromooctanoic acid
MBS393760-01	Octanoic-8,8,8-D3 Acid
OR1041625-01	8- (Benzyloxy) -8-oxooctanoic acid
OR95708-01	8-Ethoxy-8-oxooctanoic acid
C7055-500	8-Aminooctanoic acid