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139100-06-4 | Thiophene, 2-bromo-3-dodecyl-
CAS No: 139100-06-4 Catalog No: AG001A9R MDL No:MFCD10000891
Product Description
Catalog Number:
AG001A9R
Chemical Name:
Thiophene, 2-bromo-3-dodecyl-
CAS Number:
139100-06-4
Molecular Formula:
C16H27BrS
Molecular Weight:
331.3546
MDL Number:
MFCD10000891
IUPAC Name:
2-bromo-3-dodecylthiophene
InChI:
InChI=1S/C16H27BrS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-18-16(15)17/h13-14H,2-12H2,1H3
InChI Key:
IMILVTHOOISGRW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccsc1Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.356g/mol
Monoisotopic Mass:
330.102g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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