| CAS Number | 1403483-69-1 |
| Catalog Number | AG009X3P(AGN-PC-0WA67S) |
| Chemical Name | 2-Bromo-4-(1-methylhydrazin-1-yl)benzonitrile |
| IUPAC Name | 4-[amino(methyl)amino]-2-bromobenzonitrile |
| InChI | InChI=1S/C8H8BrN3/c1-12(11)7-3-2-6(5-10)8(9)4-7/h2-4H,11H2,1H3 |
| InChI Key | CAJYCBDLTAKZGP-UHFFFAOYSA-N |
| MDL Number | MFCD22549308 |
| Molecular Formula | C8H8BrN3 |
| Molecular Weight | 226.0732 |
| SMILES | N#Cc1ccc(cc1Br)N(N)C |
| Synonyms | 2-Bromo-4-(1-methylhydrazin-1-yl)benzonitrile,
1403483-69-1,
ZINC95217829,
V3065,
C8H8BrN3,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.077g/mol |
| Monoisotopic Mass | 224.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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