| CAS Number | 771581-39-6 |
| Catalog Number | AG00ICSV(AGN-PC-0WCYBJ) |
| Chemical Name | (5-Bromo-2-iodophenyl)methanamine |
| IUPAC Name | (5-bromo-2-iodophenyl)methanamine |
| InChI | InChI=1S/C7H7BrIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2 |
| InChI Key | TUWVJRJRUGHRGC-UHFFFAOYSA-N |
| MDL Number | MFCD06212951 |
| Molecular Formula | C7H7BrIN |
| Molecular Weight | 311.9457 |
| SMILES | BrC=1C=CC(=C(C1)CN)I |
| Synonyms | (5-BROMO-2-IODOPHENYL)METHANAMINE,
771581-39-6,
5-Bromo-2-iodobenzylamine,
SCHEMBL9939277,
TUWVJRJRUGHRGC-UHFFFAOYSA-N,
Benzenemethanamine, 5-bromo-2-iodo-,
MFCD06212951,
ZINC44248867,
AM807923,
AS-38588,
SC-38573,
X-2304,
A1-02357,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.881g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.948g/mol |
| Monoisotopic Mass | 310.881g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number