| CAS Number | 1030829-66-3 |
| Catalog Number | AG00H9YF(AGN-PC-0WQYD7) |
| Chemical Name | 1-(3,5-Difluorophenyl)biguanide, HCl |
| IUPAC Name | 1-(diaminomethylidene)-2-(3,5-difluorophenyl)guanidine;hydrochloride |
| InChI | InChI=1S/C8H9F2N5.ClH/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H |
| InChI Key | SAOVSHFMPMBZML-UHFFFAOYSA-N |
| MDL Number | MFCD03094447 |
| Molecular Formula | C8H10ClF2N5 |
| Molecular Weight | 249.6483 |
| SMILES | Cl.FC1(=CC(F)=CC(=C1)NC(=N)NC(=N)N) |
| Synonyms | 1-(3,5-Difluorophenyl)biguanide hydrochloride,
1030829-66-3,
1-(3,5-Difluorophenyl)biguanide, HCl,
KS-00003R33,
K-0346,
amino{[(3,5-difluorophenyl)amino]iminomethyl}carboxamidine, chloride,
1-carbamimidamido-N-(3,5-difluorophenyl)methanimidamide hydrochloride,
CTK7D1248,
ZX-AP002653,
MFCD03094447,
PC7814,
SBB100636,
AKOS025393499,
PS-7495,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.059g/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