| CAS Number | 118621-30-0 |
| Catalog Number | AG00920B(AGN-PC-0N2E1K) |
| Chemical Name | 2-(4-Bromophenyl)-5-phenylthiophene |
| IUPAC Name | 2-(4-bromophenyl)-5-phenylthiophene |
| InChI | InChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H |
| InChI Key | YMDCOEOZWHXGTM-UHFFFAOYSA-N |
| MDL Number | MFCD21648452 |
| Molecular Formula | C16H11BrS |
| Molecular Weight | 315.2275 |
| SMILES | BrC1=CC=C(C2=CC=C(C3=CC=CC=C3)S2)C=C1 |
| Synonyms | 2-(4-bromophenyl)-5-phenylthiophene,
118621-30-0,
SCHEMBL10041710,
KS-00000LPL,
MFCD21648452,
ZINC38482281,
2-Phenyl-5-(4-bromophenyl)thiophene,
AKOS027383998,
2-(4-Bromophenyl)-5-phenyl thiophene,
AK402301,
DA-17134,
DS-13439,
B5491,
FT-0750173,
2-(4-bromophenyl)-5-phenyl-thiophene,
ACN-040226,
CID10313583,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.228g/mol |
| Monoisotopic Mass | 313.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number