| CAS Number | 375368-94-8 |
| Catalog Number | AG00C05A(AGN-PC-0WAF31) |
| Chemical Name | T-BUTYL 3-BROMO-4-FLUOROBENZOATE |
| IUPAC Name | tert-butyl 3-bromo-4-fluorobenzoate |
| InChI | InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3 |
| InChI Key | MUGCZCJMBJFCIX-UHFFFAOYSA-N |
| MDL Number | MFCD03095011 |
| Molecular Formula | C11H12BrFO2 |
| Molecular Weight | 275.1142 |
| SMILES | O=C(OC(C)(C)C)C1=CC=C(F)C(Br)=C1 |
| Synonyms | T-Butyl 3-bromo-4-fluorobenzoate,
375368-94-8,
TERT-BUTYL 3-BROMO-4-FLUOROBENZOATE,
tert-Butyl3-bromo-4-fluorobenzoate,
ACMC-1CT14,
SCHEMBL2609000,
CTK4H8369,
DTXSID60660588,
MUGCZCJMBJFCIX-UHFFFAOYSA-N,
ZINC2383973,
ANW-28669,
MFCD03095011,
AKOS025311060,
N550,
TC-117414,
tert-butyl 3-bromanyl-4-fluoranyl-benzoate,
3-bromo-4-fluorobenzoic acid tert-butyl ester,
K-8278,
A823741,
C11H12BrFO2,
T-BUTYL3-BROMO-4-FLUOROBENZOATE,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.117g/mol |
| Monoisotopic Mass | 274g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number