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18991-99-6 | Acetic acid, 2-bromo-, heptyl ester
CAS No: 18991-99-6 Catalog No: AG002E4D MDL No:
Product Description
Catalog Number:
AG002E4D
Chemical Name:
Acetic acid, 2-bromo-, heptyl ester
CAS Number:
18991-99-6
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
heptyl 2-bromoacetate
InChI:
InChI=1S/C9H17BrO2/c1-2-3-4-5-6-7-12-9(11)8-10/h2-8H2,1H3
InChI Key:
SZZUXOYNCHATNT-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)CBr
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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