| CAS Number | 926222-06-2 |
| Catalog Number | AG019W2Z |
| Chemical Name | N-[3-(aminomethyl)phenyl]-4-fluorobenzamide |
| IUPAC Name | N-[3-(aminomethyl)phenyl]-4-fluorobenzamide |
| InChI | InChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9,16H2,(H,17,18) |
| InChI Key | BXXGLZQHWVCWBM-UHFFFAOYSA-N |
| MDL Number | MFCD09049085 |
| Molecular Formula | C14H13FN2O |
| Molecular Weight | 244.2642 |
| SMILES | NCC1=CC(NC(C2=CC=C(F)C=C2)=O)=CC=C1 |
| Synonyms | N-[3-(aminomethyl)phenyl]-4-fluorobenzamide,
926222-06-2,
AC1Q53VP,
SCHEMBL1229626,
CTK7E5521,
BXXGLZQHWVCWBM-UHFFFAOYSA-N,
ZINC22144889,
AKOS000133085,
MCULE-3222447290,
NE14201,
N[3-(aminomethyl)phenyl]-4-fluorobenzamide,
EN300-50320,
Benzamide, N-[3-(aminomethyl)phenyl]-4-fluoro-,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.269g/mol |
| Monoisotopic Mass | 244.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number