| CAS Number | 866927-10-8 |
| Catalog Number | AG00GUB6(AGN-PC-0OKL6M) |
| Chemical Name | IC87201 |
| IUPAC Name | 2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol |
| InChI | InChI=1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19) |
| InChI Key | QEHVTUCLCBXQIC-UHFFFAOYSA-N |
| MDL Number | MFCD28160570 |
| Molecular Formula | C13H10Cl2N4O |
| Molecular Weight | 309.1507 |
| SMILES | N(Cc1c(O)c(Cl)cc(c1)Cl)c1cc2c(cc1)nn[nH]2 |
| Synonyms | 2-((1H-benzo(d)(1,2,3)triazol-5-ylamino)methyl)-4,6-dichlorophenol,
IC 87201,
IC-87201,
IC87201,
ic87201,
866927-10-8,
IC-87201,
SCHEMBL16005189,
ZINC36422274,
AKOS032945013,
CS-5875,
IC 87201,
HY-100457,
2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichlorophenol,
CID11771269,
2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichloro-phenol,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.15g/mol |
| Monoisotopic Mass | 308.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number