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100990-01-0 | Thiophene, 3,4-bis(4-bromophenyl)-2,5-dihydro-
CAS No: 100990-01-0 Catalog No: AG0003E5 MDL No:
Product Description
Catalog Number:
AG0003E5
Chemical Name:
Thiophene, 3,4-bis(4-bromophenyl)-2,5-dihydro-
CAS Number:
100990-01-0
Molecular Formula:
C16H12Br2S
Molecular Weight:
396.1395
IUPAC Name:
3,4-bis(4-bromophenyl)-2,5-dihydrothiophene
InChI:
InChI=1S/C16H12Br2S/c17-13-5-1-11(2-6-13)15-9-19-10-16(15)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChI Key:
JIYBFIJUXTWADJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=C(CSC1)c1ccc(cc1)Br
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.901g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.14g/mol
Monoisotopic Mass:
393.903g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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