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18992-03-5 | Acetic acid, 2-bromo-, octadecyl ester
CAS No: 18992-03-5 Catalog No: AG002E4B MDL No:
Product Description
Catalog Number:
AG002E4B
Chemical Name:
Acetic acid, 2-bromo-, octadecyl ester
CAS Number:
18992-03-5
Molecular Formula:
C20H39BrO2
Molecular Weight:
391.4265
IUPAC Name:
octadecyl 2-bromoacetate
InChI:
InChI=1S/C20H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22)19-21/h2-19H2,1H3
InChI Key:
LOBRVJLEFHWKDI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CBr
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.213g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.434g/mol
Monoisotopic Mass:
390.213g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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