| CAS Number | 459-49-4 |
| Catalog Number | AG00DKRI(AGN-PC-03EMZL) |
| Chemical Name | 1-Bromo-4-(fluoromethyl)benzene |
| IUPAC Name | 1-bromo-4-(fluoromethyl)benzene |
| InChI | InChI=1S/C7H6BrF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2 |
| InChI Key | LFTYKVGDROWKQC-UHFFFAOYSA-N |
| MDL Number | MFCD20482167 |
| Molecular Formula | C7H6BrF |
| Molecular Weight | 189.0249 |
| SMILES | FCC1=CC=C(Br)C=C1 |
| Synonyms | 1-bromo-4-(fluoromethyl)benzene,
459-49-4,
4-bromobenzyl fluoride,
1-Bromo-4-fluoromethyl-benzene,
benzene, 1-bromo-4-(fluoromethyl)-,
AC1LD6NT,
SCHEMBL2517808,
LFTYKVGDROWKQC-UHFFFAOYSA-N,
MFCD20482167,
ZINC91305465,
AM806120,
AS-54829,
CS-0047008,
InChI=1/C7H6BrF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H,
CID643180,
|
| Complexity | 77 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.027g/mol |
| Monoisotopic Mass | 187.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number