10-Bromodecanoic acid

CAT: 0127-OR14309-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR14309-01Size:25 g

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CAS Number

50530-12-6

Synonyms

10-Bromocapric acid

MDL Number

MFCD00014388

Purity

98%

Smiles

OC(=O)CCCCCCCCCBr

Chemical Information

10-Bromodecanoic Acid

CAS Number	50530-12-6
PubChem CID	142712
IUPAC Name	10-bromodecanoic acid
Molecular Formula	C10H19BrO2
Molecular Weight	251.16
XLogP	4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	13
Formal Charge	0
Complexity	126

SMILES

C(CCCCC(=O)O)CCCCBr

InChI

InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)

InChIKey

PGVRSPIEZYGOAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50530-12-6

CID: 142712

Formula: C10H19BrO2

MW: 251.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.16
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	250.05684
Monoisotopic Mass	250.05684
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	126
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
T206378-01	10-Bromodecanoic acid
B20240	A-Bromodecanoic acid
B20250-01	W-Bromodecanoic acid
HY-W937057	(S, R, S) -AHPC-Me-10-bromodecanoic acid
MBS393763-01	Decanoic-10,10,10-D3 Acid
HY-W108237	10- (Benzyloxy) -10-oxodecanoic acid
C6968-100	10-Undecenoic acid
FA40762-01	Arachidonic acid - 10%
FO183674-01	10-Oxooctadecanoic acid
HY-113473	10-Nitrolinoleic acid