| CAS Number | 1030829-65-2 |
| Catalog Number | AG009MIP(AGN-PC-0WQYD6) |
| Chemical Name | 1-(3-Chloro-2-fluorophenyl)biguanide, HCl |
| IUPAC Name | 2-(3-chloro-2-fluorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride |
| InChI | InChI=1S/C8H9ClFN5.ClH/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H |
| InChI Key | HEXFLOGYOUDMNQ-UHFFFAOYSA-N |
| MDL Number | MFCD03094446 |
| Molecular Formula | C8H10Cl2FN5 |
| Molecular Weight | 266.1029 |
| SMILES | ClC1(=C(F)C(NC(=N)NC(=N)N)=CC=C1).Cl |
| Synonyms | 1-(3-Chloro-2-fluorophenyl)biguanide hydrochloride,
1030829-65-2,
1-carbamimidamido-N-(3-chloro-2-fluorophenyl)methanimidamide hydrochloride,
CTK7D2089,
KS-00003R1L,
ZX-AP003112,
MFCD03094446,
PC7805,
SBB102995,
AKOS025393489,
PS-7319,
1-(3-Chloro-2-fluorophenyl)biguanide, HCl,
K-0345,
amino{[(3-chloro-2-fluorophenyl)amino]iminomethyl}carboxamidine, chloride,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.101g/mol |
| Monoisotopic Mass | 265.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number