| CAS Number | 370-77-4 |
| Catalog Number | AG00C94I(AGN-PC-0JXZ7S) |
| Chemical Name | N-Benzyl-4-fluoroaniline |
| IUPAC Name | N-benzyl-4-fluoroaniline |
| InChI | InChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2 |
| InChI Key | VGUGAUNYDBPMQY-UHFFFAOYSA-N |
| MDL Number | MFCD00459115 |
| Molecular Formula | C13H12FN |
| Molecular Weight | 201.2395 |
| SMILES | FC1=CC=C(NCC2=CC=CC=C2)C=C1 |
| Synonyms | N-benzyl-4-fluoroaniline,
370-77-4,
AC1LIY0L,
Benzyl(4-fluorophenyl)amine,
Oprea1_813485,
SCHEMBL4241915,
CHEMBL2296108,
CTK7C0919,
VGUGAUNYDBPMQY-UHFFFAOYSA-N,
ZINC497924,
MFCD00459115,
AKOS000239119,
Benzenemethanamine,N-(4-fluorophenyl)-,
MCULE-8231060239,
SC-61664,
(4-FLUOROPHENYL)(PHENYL)METHYLAMINE,
N-benzyl-4-fluoro-aniline,
N-Benzyl-4-fluoroaniline Hydrochloride,
CID913402,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.244g/mol |
| Monoisotopic Mass | 201.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number