2-Bromo-2-propylpentanoic acid

CAT: 0926-YDA55117-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YDA55117-01Size:50 mg

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CAS Number

98551-17-8

MDL Number

MFCD22578470

Smiles

CCCC (CCC) (C (=O) O) Br

Molecular Formula

C8H15BrO2

Molecular Weight

223.11 g/mol

Controlled

Chemical Information

2-Bromo-2-propylpentanoic acid

CAS Number	98551-17-8
PubChem CID	54396285
IUPAC Name	2-bromo-2-propylpentanoic acid
Molecular Formula	C8H15BrO2
Molecular Weight	223.11
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	128

SMILES

CCCC(CCC)(C(=O)O)Br

InChI

InChI=1S/C8H15BrO2/c1-3-5-8(9,6-4-2)7(10)11/h3-6H2,1-2H3,(H,10,11)

InChIKey

VKEWQHFBEKFBLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98551-17-8

CID: 54396285

Formula: C8H15BrO2

MW: 223.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.11
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	222.02554
Monoisotopic Mass	222.02554
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128
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

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Catalog	Name
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