| CAS Number | 108912-09-0 |
| Catalog Number | AG008RR6(AGN-PC-00NXL6) |
| Chemical Name | 3-(4-(Bromomethyl)phenyl)thiophene |
| IUPAC Name | 3-[4-(bromomethyl)phenyl]thiophene |
| InChI | InChI=1S/C11H9BrS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-6,8H,7H2 |
| InChI Key | CCUJJVAQFMGIJO-UHFFFAOYSA-N |
| MDL Number | MFCD08435895 |
| Molecular Formula | C11H9BrS |
| Molecular Weight | 253.1582 |
| SMILES | BrCC1=CC=C(C2=CSC=C2)C=C1 |
| Synonyms | 3-[4-(Bromomethyl)phenyl]thiophene,
108912-09-0,
3-(4-(Bromomethyl)phenyl)thiophene,
4-(3-thienyl)benzyl bromide,
SCHEMBL7445908,
CTK8G5439,
DTXSID90549019,
CCUJJVAQFMGIJO-UHFFFAOYSA-N,
4-(3-thienyl)phenylmethyl bromide,
MFCD08435895,
SBB101231,
ZINC12370371,
AKOS015908537,
AS-48039,
BC005082,
DB-059797,
FT-0708527,
L-2184,
I14-34563,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.157g/mol |
| Monoisotopic Mass | 251.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number