| CAS Number | 951221-67-3 |
| Catalog Number | AG00IIR7(AGN-PC-0WAZCD) |
| Chemical Name | 2-Amino-6-bromo-3-quinolinecarbonitrile |
| IUPAC Name | 2-amino-6-bromoquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H6BrN3/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,(H2,13,14) |
| InChI Key | OZZJKVKTCKKFHA-UHFFFAOYSA-N |
| MDL Number | MFCD12922674 |
| Molecular Formula | C10H6BrN3 |
| Molecular Weight | 248.0787 |
| SMILES | BrC1=CC=C2C(=C1)C=C(C#N)C(N)=N2 |
| Synonyms | 2-amino-6-bromo-3-quinolinecarbonitrile,
2-amino-6-bromoquinoline-3-carbonitrile,
951221-67-3,
aminobromoquinolinecarbonitrile,
SCHEMBL789748,
CTK7C7421,
MFCD12922674,
SBB100359,
ZINC40564498,
AKOS005072351,
ED-0727,
MCULE-3457630532,
RP14129,
KS-000024U7,
AJ-103455,
TR-065585,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.083g/mol |
| Monoisotopic Mass | 246.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number