| CAS Number | 903556-49-0 |
| Catalog Number | AG00IG43 |
| Chemical Name | Benzyl N-(3-bromo-2-fluorophenyl)carbamate |
| IUPAC Name | benzyl N-(3-bromo-2-fluorophenyl)carbamate |
| InChI | InChI=1S/C14H11BrFNO2/c15-11-7-4-8-12(13(11)16)17-14(18)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18) |
| InChI Key | INRWHGLHCPGDKM-UHFFFAOYSA-N |
| MDL Number | MFCD20529437 |
| Molecular Formula | C14H11BrFNO2 |
| Molecular Weight | 324.1450 |
| SMILES | FC1=C(NC(OCC2=CC=CC=C2)=O)C=CC=C1Br |
| Synonyms | Benzyl N-(3-bromo-2-fluorophenyl)carbamate,
903556-49-0,
ACMC-209r5s,
CTK8B2654,
DTXSID90718329,
ANW-39470,
MFCD20529437,
ZINC74937740,
Benzyl (3-bromo-2-fluorophenyl)carbamate,
TC-128215,
V8902,
B-8881,
C14H11BrFNO2,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.149g/mol |
| Monoisotopic Mass | 322.996g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number