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Home > Bromides > 1194605-76-9
1194605-76-9 | 1-Hexanone, 1-(4,6-dibromothieno[3,4-b]thien-2-yl)-2-ethyl-
CAS No: 1194605-76-9 Catalog No: AG000P7Q MDL No:MFCD23703121
Product Description
Catalog Number:
AG000P7Q
Chemical Name:
1-Hexanone, 1-(4,6-dibromothieno[3,4-b]thien-2-yl)-2-ethyl-
CAS Number:
1194605-76-9
Molecular Formula:
C14H16Br2OS2
Molecular Weight:
424.2142
MDL Number:
MFCD23703121
IUPAC Name:
1-(4,6-dibromothieno[2,3-c]thiophen-2-yl)-2-ethylhexan-1-one
InChI:
InChI=1S/C14H16Br2OS2/c1-3-5-6-8(4-2)11(17)10-7-9-12(18-10)14(16)19-13(9)15/h7-8H,3-6H2,1-2H3
InChI Key:
UHHOTOYDCIDUJQ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)c1cc2c(s1)c(sc2Br)Br)CC
Properties
Complexity:
327
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:
6
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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