| CAS Number | 51597-76-3 |
| Catalog Number | AG019LVA(AGN-PC-0LKMKF) |
| Chemical Name | 3-Chloro-N-(furan-2-ylmethyl)aniline |
| IUPAC Name | 3-chloro-N-(furan-2-ylmethyl)aniline |
| InChI | InChI=1S/C11H10ClNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2 |
| InChI Key | FXAPHDXZEYAVIA-UHFFFAOYSA-N |
| MDL Number | MFCD03827986 |
| Molecular Formula | C11H10ClNO |
| Molecular Weight | 207.6562 |
| SMILES | ClC1=CC(NCC2=CC=CO2)=CC=C1 |
| Synonyms | 3-chloro-N-(furan-2-ylmethyl)aniline,
51597-76-3,
(3-chlorophenyl)(2-furylmethyl)amine,
N-Furfuryl-m-chloroaniline,
AC1NLOJT,
(3-Chloro-phenyl)(furan-2-ylmethyl)amine,
FXAPHDXZEYAVIA-UHFFFAOYSA-N,
HMS1615F12,
ZINC209357,
SBB073109,
N-(2-Furanylmethyl)-3-chloroaniline,
AKOS000235547,
MCULE-3331693682,
NE48440,
3-chloro-N-[(furan-2-yl)methyl]aniline,
EU-0048890,
ST45255514,
EN300-32890,
Z995011724,
CID4986416,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.657g/mol |
| Monoisotopic Mass | 207.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number