| CAS Number | 323578-36-5 |
| Catalog Number | AG00D4GA(AGN-PC-0R7PVA) |
| Chemical Name | 4-Amino-3-fluorobenzyl bromide, N-BOC protected |
| IUPAC Name | tert-butyl N-[4-(bromomethyl)-2-fluorophenyl]carbamate |
| InChI | InChI=1S/C12H15BrFNO2/c1-12(2,3)17-11(16)15-10-5-4-8(7-13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16) |
| InChI Key | XXKQUYPKRKBDOL-UHFFFAOYSA-N |
| MDL Number | MFCD11976469 |
| Molecular Formula | C12H15BrFNO2 |
| Molecular Weight | 304.1554 |
| SMILES | CC(C)(C)OC(=O)NC1=C(F)C=C(CBr)C=C1 |
| Synonyms | 323578-36-5,
4-Amino-3-fluorobenzyl bromide, N-BOC protected,
tert-Butyl (4-(bromomethyl)-2-fluorophenyl)carbamate,
SCHEMBL3832059,
MFCD11976469,
ZINC39175195,
FCH1628979,
PC53017,
PS-9866,
4-tert-butoxycarbonylamino-3-fluorobenzyl bromide,
4-Amino-3-fluorobenzyl bromide,
CID10685901,
Tert-butyl N-[4-(bromomethyl)-2-fluoro-phenyl]carbamate,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.159g/mol |
| Monoisotopic Mass | 303.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number