| CAS Number | 1183308-33-9 |
| Catalog Number | AG01A937(AGN-PC-0WOW31) |
| Chemical Name | 2-fluoro-5-(1H-pyrrol-1-yl)aniline |
| IUPAC Name | 2-fluoro-5-pyrrol-1-ylaniline |
| InChI | InChI=1S/C10H9FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h1-7H,12H2 |
| InChI Key | SIPWVEMZXMMIHP-UHFFFAOYSA-N |
| MDL Number | MFCD12165070 |
| Molecular Formula | C10H9FN2 |
| Molecular Weight | 176.1903 |
| SMILES | NC1=C(F)C=CC(N2C=CC=C2)=C1 |
| Synonyms | 2-fluoro-5-(1H-pyrrol-1-yl)aniline,
1183308-33-9,
AC1Q5122,
ZINC37483995,
AKOS010081952,
MCULE-9620617831,
NE49150,
NCGC00332854-01,
EN300-64064,
AB01326231-02,
Z1101435011,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.194g/mol |
| Monoisotopic Mass | 176.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number