| CAS Number | 33829-87-7 |
| Catalog Number | AG019LVD(AGN-PC-0JYPO8) |
| Chemical Name | 4-Chloro-N-(furan-2-ylmethyl)aniline |
| IUPAC Name | 4-chloro-N-(furan-2-ylmethyl)aniline |
| InChI | InChI=1S/C11H10ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2 |
| InChI Key | SORYCONFCUFJND-UHFFFAOYSA-N |
| MDL Number | MFCD04563642 |
| Molecular Formula | C11H10ClNO |
| Molecular Weight | 207.6562 |
| SMILES | ClC1=CC=C(C=C1)NCC2=CC=CO2 |
| Synonyms | 4-chloro-N-(furan-2-ylmethyl)aniline,
33829-87-7,
n-(4-chlorophenyl)-n-(2-furylmethyl)amine,
AC1LJ5MR,
AC1Q3JRT,
CHEMBL260948,
SCHEMBL10657204,
CTK6H0638,
ZINC586733,
N-(2-Furylmethyl)-4-chloroaniline,
BBL010970,
MFCD04563642,
STK802089,
AKOS000235149,
MCULE-6254967772,
NE19617,
EN300-32899,
CID968932,
ZINC00586733,
|
| Complexity | 169 |
| 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