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1011800-93-3 | Thiophene, 3-[(4-bromophenyl)(2,5-dimethylphenyl)methyl]-2,5-dimethyl-
CAS No: 1011800-93-3 Catalog No: AG0003W1 MDL No:
Product Description
Catalog Number:
AG0003W1
Chemical Name:
Thiophene, 3-[(4-bromophenyl)(2,5-dimethylphenyl)methyl]-2,5-dimethyl-
CAS Number:
1011800-93-3
Molecular Formula:
C21H21BrS
Molecular Weight:
385.3604
IUPAC Name:
3-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]-2,5-dimethylthiophene
InChI:
InChI=1S/C21H21BrS/c1-13-5-6-14(2)19(11-13)21(17-7-9-18(22)10-8-17)20-12-15(3)23-16(20)4/h5-12,21H,1-4H3
InChI Key:
FQMHNVDDPUYECI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cc(sc1C)C)c1cc(C)ccc1C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.055g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.363g/mol
Monoisotopic Mass:
384.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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