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100766-35-6 | Octadecanoic acid, hexabromo-
CAS No: 100766-35-6 Catalog No: AG0002UC MDL No:
Product Description
Catalog Number:
AG0002UC
Chemical Name:
Octadecanoic acid, hexabromo-
CAS Number:
100766-35-6
Molecular Formula:
C18H30Br6O2
Molecular Weight:
757.8536
IUPAC Name:
2,2,3,3,4,4-hexabromooctadecanoic acid
InChI:
InChI=1S/C18H30Br6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19,20)18(23,24)17(21,22)15(25)26/h2-14H2,1H3,(H,25,26)
InChI Key:
RDFHTDPFPHPIHW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(C(C(C(=O)O)(Br)Br)(Br)Br)(Br)Br
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
757.728g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
757.86g/mol
Monoisotopic Mass:
751.735g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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