| CAS Number | 91167-85-0 |
| Catalog Number | AG00IGIN(AGN-PC-0JNIBX) |
| Chemical Name | Benzenamine, 4-chloro-2-fluoro-5-methoxy- |
| IUPAC Name | 4-chloro-2-fluoro-5-methoxyaniline |
| InChI | InChI=1S/C7H7ClFNO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,10H2,1H3 |
| InChI Key | ZBUDAHCMQUETEO-UHFFFAOYSA-N |
| MDL Number | MFCD17169196 |
| Molecular Formula | C7H7ClFNO |
| Molecular Weight | 175.5880 |
| SMILES | ClC1=CC(=C(N)C=C1OC)F |
| Synonyms | 4-Chloro-2-fluoro-5-methoxyaniline,
91167-85-0,
AC1L4G4T,
SCHEMBL1224878,
CTK5G9012,
DTXSID30238435,
ZBUDAHCMQUETEO-UHFFFAOYSA-N,
ZINC5998846,
2-Fluoro-4-chloro-5-methoxyaniline,
MFCD17169196,
AKOS022639262,
FCH1172586,
PC500247,
PS-11704,
AS-813/43501791,
CID185082,
4-chloro-2-fluoro-5-methoxy-aniline,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.587g/mol |
| Monoisotopic Mass | 175.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number