BROMO-ACETIC ACID DECYL ESTER 5436-93-1 CAS NO.5436-93-1

Min.Order: 1 Kilogram
Payment Terms: L/C,T/T,

Product Details

Keywords

decyl 2-bromoacetate
BROMO-ACETIC ACID DECYL ESTER
5436-93-1

Quick Details

ProName: BROMO-ACETIC ACID DECYL ESTER 5436-93...
CasNo: 5436-93-1
Molecular Formula: C12H23BrO2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
BROMO-ACETIC ACID DECYL ESTER
【Iupac name】
decyl 2-bromoacetate
【CAS Registry number】
5436-93-1
【Synonyms】
decyl 2-bromoacetate
decyl 2-bromoethanoate
【Molecular Formula】
C12H23BrO2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h2-11H2,1H3
【InChIKey】
OMRFZIDOMSMRSP-UHFFFAOYSA-N
【Canonical SMILES】
CCCCCCCCCCOC(=O)CBr
【MOL File】
5436-93-1.mol
Chemical and Physical Properties
【Density】
1.147g/cm3
【Boiling Point】
281.9°C at 760 mmHg
【Refractive Index】
1.464
【Flash Point】
138.3°C
【Computed Properties】
Molecular Weight:279.21382 [g/mol]
Molecular Formula:C12H23BrO2
XLogP3:5.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:11
Exact Mass:278.088143
MonoIsotopic Mass:278.088143
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Formal Charge:0
Complexity:149
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
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:11
Conformer Sampling RMSD:1.2
CID Conformer Count:55

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