Home Halogens 3-methylbutyl bromo(phenyl)acetate

3-methylbutyl bromo(phenyl)acetate

CAS No.:
92018-48-9
Catalog Number:
AG006FKA
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
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Product Description
Catalog Number:
AG006FKA
Chemical Name:
3-methylbutyl bromo(phenyl)acetate
CAS Number:
92018-48-9
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
MDL Number:
MFCD00017859
IUPAC Name:
3-methylbutyl 2-bromo-2-phenylacetate
InChI:
InChI=1S/C13H17BrO2/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChI Key:
CKPGTYLPMYKUDW-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)C(=O)OCCC(C)C
NSC Number:
163347
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.181g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties