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188964-30-9 | Octadecanoic acid, 4-bromo-3-oxo-, methyl ester
CAS No: 188964-30-9 Catalog No: AG002HLS MDL No:
Product Description
Catalog Number:
AG002HLS
Chemical Name:
Octadecanoic acid, 4-bromo-3-oxo-, methyl ester
CAS Number:
188964-30-9
Molecular Formula:
C19H35BrO3
Molecular Weight:
391.3834
IUPAC Name:
methyl 4-bromo-3-oxooctadecanoate
InChI:
InChI=1S/C19H35BrO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)18(21)16-19(22)23-2/h17H,3-16H2,1-2H3
InChI Key:
UJWNUZHLHAVLQL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(C(=O)CC(=O)OC)Br
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.177g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.39g/mol
Monoisotopic Mass:
390.177g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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