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Home > Bromides > 1327334-59-7
1327334-59-7 | 1-Octanone, 1-(4,6-dibromothieno[3,4-b]thien-2-yl)-
CAS No: 1327334-59-7 Catalog No: AG00112R MDL No:
Product Description
Catalog Number:
AG00112R
Chemical Name:
1-Octanone, 1-(4,6-dibromothieno[3,4-b]thien-2-yl)-
CAS Number:
1327334-59-7
Molecular Formula:
C14H16Br2OS2
Molecular Weight:
424.2142
IUPAC Name:
1-(4,6-dibromothieno[2,3-c]thiophen-2-yl)octan-1-one
InChI:
InChI=1S/C14H16Br2OS2/c1-2-3-4-5-6-7-10(17)11-8-9-12(18-11)14(16)19-13(9)15/h8H,2-7H2,1H3
InChI Key:
PVGRNELNZUKTEO-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1cc2c(s1)c(sc2Br)Br
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.899g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.209g/mol
Monoisotopic Mass:
421.901g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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