| CAS Number | 1354952-66-1 |
| Catalog Number | AG019T8U(AGN-PC-0WOBU5) |
| Chemical Name | (4-bromo-1H-pyrrol-2-yl)methanamine |
| IUPAC Name | (4-bromo-1H-pyrrol-2-yl)methanamine |
| InChI | InChI=1S/C5H7BrN2/c6-4-1-5(2-7)8-3-4/h1,3,8H,2,7H2 |
| InChI Key | NGPSXQJWPGUSRK-UHFFFAOYSA-N |
| MDL Number | MFCD20731250 |
| Molecular Formula | C5H7BrN2 |
| Molecular Weight | 175.0265 |
| SMILES | BrC=1C=C(NC1)CN |
| Synonyms | (4-bromo-1H-pyrrol-2-yl)methanamine,
1354952-66-1,
1H-Pyrrole-2-methanamine, 4-bromo-,
SCHEMBL15243948,
NGPSXQJWPGUSRK-UHFFFAOYSA-N,
ZINC71790888,
AKOS017537037,
MCULE-7781561286,
NE61705,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.029g/mol |
| Monoisotopic Mass | 173.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number