| CAS Number | 133100-87-5 |
| Catalog Number | AG00149T(AGN-PC-0KZX8N) |
| Chemical Name | 4-Bromo-3-methylisoquinoline |
| IUPAC Name | 4-bromo-3-methylisoquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-10(11)9-5-3-2-4-8(9)6-12-7/h2-6H,1H3 |
| InChI Key | GAGBZCVLKGZXFY-UHFFFAOYSA-N |
| MDL Number | MFCD05981996 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | CC1=C(Br)C2=C(C=CC=C2)C=N1 |
| Synonyms | 4-bromo-3-methylisoquinoline,
133100-87-5,
4-bromo-3-methyl-isoquinoline,
Isoquinoline, 4-bromo-3-methyl-,
AC1MWOZT,
ACMC-1CDJS,
SCHEMBL112386,
CTK0C0473,
DTXSID60396294,
GAGBZCVLKGZXFY-UHFFFAOYSA-N,
2705AJ,
ZINC15781150,
FCH1376963,
AJ-67892,
AX8289503,
DB-062952,
FT-0708561,
Z-6919,
C10H8BrN,
CID3777703,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.085g/mol |
| Monoisotopic Mass | 220.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number