| CAS Number | 1065073-97-3 |
| Catalog Number | AG003T4G(AGN-PC-0WAELN) |
| Chemical Name | N-Isopropyl 3-bromo-4-fluorobenzamide |
| IUPAC Name | 3-bromo-4-fluoro-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3,(H,13,14) |
| InChI Key | OSVMIZLXXGLNLT-UHFFFAOYSA-N |
| MDL Number | MFCD11053795 |
| Molecular Formula | C10H11BrFNO |
| Molecular Weight | 260.1028 |
| SMILES | CC(NC(=O)c1ccc(c(c1)Br)F)C |
| Synonyms | 1065073-97-3,
3-Bromo-4-fluoro-N-isopropylbenzamide,
N-ISOPROPYL 3-BROMO-4-FLUOROBENZAMIDE,
3-Bromo-4-fluoro-N-(propan-2-yl)benzamide,
ACMC-2098k2,
CTK4A4558,
DTXSID90674537,
ANW-15360,
MFCD11053795,
N-Isopropyl3-bromo-4-fluorobenzamide,
ZINC38537080,
AKOS015834321,
QC-8005,
RTR-001266,
AJ-95865,
TR-001266,
Z6855,
A-4366,
I01-10816,
C10H11BrFNO,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.106g/mol |
| Monoisotopic Mass | 259.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number