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101714-61-8

101714-61-8 | Cyclopentaneacetic acid, 2-bromo-, ethyl ester

CAS No: 101714-61-8 Catalog No: AG0005B5 MDL No:

Product Description

Catalog Number:
AG0005B5
Chemical Name:
Cyclopentaneacetic acid, 2-bromo-, ethyl ester
CAS Number:
101714-61-8
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
ethyl 2-(2-bromocyclopentyl)acetate
InChI:
InChI=1S/C9H15BrO2/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7-8H,2-6H2,1H3
InChI Key:
PPGOGKIHWZJEJB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCCC1Br

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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