| CAS Number | 1187386-17-9 |
| Catalog Number | AG0090FH(AGN-PC-0WAEMO) |
| Chemical Name | 3-Chloro-2-fluoro-N-methylaniline hydrochloride |
| IUPAC Name | 3-chloro-2-fluoro-N-methylaniline;hydrochloride |
| InChI | InChI=1S/C7H7ClFN.ClH/c1-10-6-4-2-3-5(8)7(6)9;/h2-4,10H,1H3;1H |
| InChI Key | CPSXPLGCRPJSPX-UHFFFAOYSA-N |
| MDL Number | MFCD12913956 |
| Molecular Formula | C7H8Cl2FN |
| Molecular Weight | 196.0495 |
| SMILES | Cl.CNC1=C(F)C(Cl)=CC=C1 |
| Synonyms | 1187386-17-9,
3-Chloro-2-fluoro-N-methylaniline hydrochloride,
N-Methyl 3-chloro-2-fluoroaniline, HCl,
N-methyl-3-chloro-2-fluoroaniline hydrochloride,
C7H7ClFN.HCl,
DTXSID50675166,
MFCD12913956,
AKOS015908331,
N-Methyl 3-chloro-2-fluoroaniline,hcl,
N-Methyl 3-chloro-2-fluoroaniline HCl,
AX8255850,
Z7996,
A-5302,
I14-24531,
3-Chloro-2-fluoro-N-methylaniline--hydrogen chloride (1/1),
3-Chloro-2-fluoro-N-methylanilinehydrochloride,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.046g/mol |
| Monoisotopic Mass | 195.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number