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854398-63-3 | Thiophene, 3,4-bis[(3-bromo-2-thienyl)methyl]-
CAS No: 854398-63-3 Catalog No: AG004NNJ MDL No:
Product Description
Catalog Number:
AG004NNJ
Chemical Name:
Thiophene, 3,4-bis[(3-bromo-2-thienyl)methyl]-
CAS Number:
854398-63-3
Molecular Formula:
C14H10Br2S3
Molecular Weight:
434.2322
IUPAC Name:
3,4-bis[(3-bromothiophen-2-yl)methyl]thiophene
InChI:
InChI=1S/C14H10Br2S3/c15-11-1-3-18-13(11)5-9-7-17-8-10(9)6-14-12(16)2-4-19-14/h1-4,7-8H,5-6H2
InChI Key:
UZUSRFXDQATLTN-UHFFFAOYSA-N
SMILES:
Brc1ccsc1Cc1cscc1Cc1sccc1Br
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.829g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.222g/mol
Monoisotopic Mass:
431.831g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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