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Methyl 6-bromohex-2-enoate

CAT: 1266-JH469608Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH469608Size:1 Each
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CAS Number
75424-49-6
UN Code
UN 1993
Hazard Statement
Xi
Stability
Stable. Incompatible with oxidizing agents.
Molecular Formula
C7H11BrO2
Molecular Weight
207.07
Product Name Synonym
6-bromo-2-hexenoic acid methyl ester
Physical Properties
Clear slightly yellow liquid
Hazardous Class
6.1 (b)
Safety Statements
S16
Density
1.502
Flash Point
213oC
RIDADR
UN 1993
Melting Point
99oC

Chemical Information

Methyl 6-bromohex-2-enoate
CAS Number75424-49-6
PubChem CID53811689
IUPAC Namemethyl 6-bromohex-2-enoate
Molecular FormulaC7H11BrO2
Molecular Weight207.06
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity121
SMILES
COC(=O)C=CCCCBr
InChI
InChI=1S/C7H11BrO2/c1-10-7(9)5-3-2-4-6-8/h3,5H,2,4,6H2,1H3
InChIKey
FPNAUJBKPOJNRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 6-bromohex-2-enoate
CAS: 75424-49-6
CID: 53811689
Formula: C7H11BrO2
MW: 207.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.06
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass205.99424
Monoisotopic Mass205.99424
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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