| CAS Number | 757247-98-6 |
| Catalog Number | AG00ICNZ(AGN-PC-0D3LNC) |
| Chemical Name | 4-Amino-2-chloro-3-fluorobenzaldehyde |
| IUPAC Name | 4-amino-2-chloro-3-fluorobenzaldehyde |
| InChI | InChI=1S/C7H5ClFNO/c8-6-4(3-11)1-2-5(10)7(6)9/h1-3H,10H2 |
| InChI Key | KRBYVFWVUDTYHR-UHFFFAOYSA-N |
| MDL Number | MFCD20702600 |
| Molecular Formula | C7H5ClFNO |
| Molecular Weight | 173.5721 |
| SMILES | NC1=CC=C(C=O)C(Cl)=C1F |
| Synonyms | 4-AMINO-2-CHLORO-3-FLUOROBENZALDEHYDE,
757247-98-6,
SCHEMBL2956306,
KRBYVFWVUDTYHR-UHFFFAOYSA-N,
MFCD20702600,
ZINC95835423,
AKOS027254979,
4-amino-2-chloro-3-fluoro-benzaldehyde,
AS-42309,
Benzaldehyde, 4-amino-2-chloro-3-fluoro-,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.571g/mol |
| Monoisotopic Mass | 173.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number