| CAS Number | 801316-08-5 |
| Catalog Number | AG00G9MI(AGN-PC-0WA8JO) |
| Chemical Name | 3-Cyano-4-fluoroaniline, hcl |
| IUPAC Name | 5-amino-2-fluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C7H5FN2.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3H,10H2;1H |
| InChI Key | DBYVGRUXKQPZCN-UHFFFAOYSA-N |
| MDL Number | MFCD01632195 |
| Molecular Formula | C7H6ClFN2 |
| Molecular Weight | 172.5873 |
| SMILES | N#Cc1cc(N)ccc1F.Cl |
| Synonyms | 3-CYANO-4-FLUOROANILINE, HCL,
801316-08-5,
PubChem2554,
C7H5FN2.HCl,
3-Cyano-4-fluoroaniline HCl,
SCHEMBL2482616,
MFCD01632195,
3-cyano-4-fluoroaniline hydrochloride,
AKOS026673821,
V7820,
5-Amino-2-fluorobenzonitrile,
53312-81-5,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.587g/mol |
| Monoisotopic Mass | 172.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^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