Methyl 5-bromo-2-methylpentanoate

CAT: 0127-OR1063117-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063117-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

857479-89-1

Purity

98%

Smiles

O=C(OC)C(C)CCCBr

Chemical Information

Methyl 5-bromo-2-methylpentanoate

CAS Number	857479-89-1
PubChem CID	54109219
IUPAC Name	methyl 5-bromo-2-methylpentanoate
Molecular Formula	C7H13BrO2
Molecular Weight	209.08
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	104

SMILES

CC(CCCBr)C(=O)OC

InChI

InChI=1S/C7H13BrO2/c1-6(4-3-5-8)7(9)10-2/h6H,3-5H2,1-2H3

InChIKey

NFWYCLOPRIAQFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 857479-89-1

CID: 54109219

Formula: C7H13BrO2

MW: 209.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.08
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	208.00989
Monoisotopic Mass	208.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR1045758	Ethyl 2-bromo-4-methylpentanoate
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OR92626-01	Methyl (2R) -2-hydroxy-4-methylpentanoate
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Catalog	Name
TAA19770-01	Methyl 2-bromo-2-methylpentanoate
LCA83746-01	Methyl 2-bromo-4-methylpentanoate
AR-P30732-01	Methyl 2-methylpentanoate
TRC-M483800-1G	Methyl 5-Chloro-4-Methylpentanoate
RG-M052082-01	Methyl 5-Hydroxy-4-Methylpentanoate
THC98072-01	Methyl 2- (2-chloroacetamido) -2-methylpentanoate
RBA65419-01	Methyl 2-hydroxy-3-methylpentanoate
TRC-B587600-10MG	methyl 2-hydroxy-4-methylpentanoate
sc-328309	Methyl 2-amino-3-methylpentanoate
FCA90515-01	Methyl 2-chloro-3-methylpentanoate