| CAS Number | 1417371-78-8 |
| Catalog Number | AG001GY7(AGN-PC-0WA7QJ) |
| Chemical Name | 3,4-Diamino-5-bromobenzonitrile |
| IUPAC Name | 3,4-diamino-5-bromobenzonitrile |
| InChI | InChI=1S/C7H6BrN3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2H,10-11H2 |
| InChI Key | LIULHHPOZZYTJR-UHFFFAOYSA-N |
| MDL Number | MFCD22628913 |
| Molecular Formula | C7H6BrN3 |
| Molecular Weight | 212.0466 |
| SMILES | NC1=C(N)C(Br)=CC(C#N)=C1 |
| Synonyms | 3-Bromo-4,5-diaminobenzonitrile,
3,4-Diamino-5-bromobenzonitrile,
1417371-78-8,
SCHEMBL16936198,
ZX-AT005674,
MFCD22628913,
ZINC83749455,
Benzonitrile, 3,4-diamino-5-bromo-,
FCH1960325,
OR46540,
PS-10966,
V3126,
K-4550,
AS-813/43501702,
C7H6BrN3,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.05g/mol |
| Monoisotopic Mass | 210.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number