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13048-32-3 | Acetic acid, 2-bromo-, hexyl ester
CAS No: 13048-32-3 Catalog No: AG000UH7 MDL No:
Product Description
Catalog Number:
AG000UH7
Chemical Name:
Acetic acid, 2-bromo-, hexyl ester
CAS Number:
13048-32-3
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
IUPAC Name:
hexyl 2-bromoacetate
InChI:
InChI=1S/C8H15BrO2/c1-2-3-4-5-6-11-8(10)7-9/h2-7H2,1H3
InChI Key:
NNPJKFMGVZNJHG-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CBr
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.11g/mol
Monoisotopic Mass:
222.026g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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