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14980-93-9 | Hexadecanoic acid, 2-bromo-, ethyl ester
CAS No: 14980-93-9 Catalog No: AG001M1I MDL No:
Product Description
Catalog Number:
AG001M1I
Chemical Name:
Hexadecanoic acid, 2-bromo-, ethyl ester
CAS Number:
14980-93-9
Molecular Formula:
C18H35BrO2
Molecular Weight:
363.3733
IUPAC Name:
ethyl 2-bromohexadecanoate
InChI:
InChI=1S/C18H35BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21-4-2/h17H,3-16H2,1-2H3
InChI Key:
FZNMMDGZAGNHMH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(C(=O)OCC)Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.182g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.38g/mol
Monoisotopic Mass:
362.182g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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