| CAS Number | 347146-30-9 |
| Catalog Number | AG00CMNN(AGN-PC-0WCXS4) |
| Chemical Name | 4-Bromoisoquinolin-7-amine |
| IUPAC Name | 4-bromoisoquinolin-7-amine |
| InChI | InChI=1S/C9H7BrN2/c10-9-5-12-4-6-3-7(11)1-2-8(6)9/h1-5H,11H2 |
| InChI Key | RFCJHUVZURQWCD-UHFFFAOYSA-N |
| MDL Number | MFCD22200026 |
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 223.0693 |
| SMILES | NC1=CC2=C(C=C1)C(Br)=CN=C2 |
| Synonyms | 4-bromoisoquinolin-7-amine,
347146-30-9,
7-Amino-4-bromoisoquinoline,
7-Isoquinolinamine, 4-bromo-,
SCHEMBL3060968,
RFCJHUVZURQWCD-UHFFFAOYSA-N,
MFCD22200026,
AKOS025396494,
ZINC148697938,
FCH2302149,
AK174471,
AS-32851,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.073g/mol |
| Monoisotopic Mass | 221.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^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