| CAS Number | 1072944-89-8 |
| Catalog Number | AG0090FD(AGN-PC-0WAAZ3) |
| Chemical Name | 5-Amino-1-(3-Bromophenyl)-4-Cyano-3-Methylpyrazole |
| IUPAC Name | 5-amino-1-(3-bromophenyl)-3-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C11H9BrN4/c1-7-10(6-13)11(14)16(15-7)9-4-2-3-8(12)5-9/h2-5H,14H2,1H3 |
| InChI Key | MMFBOTSACKFHNW-UHFFFAOYSA-N |
| MDL Number | MFCD11504941 |
| Molecular Formula | C11H9BrN4 |
| Molecular Weight | 277.1200 |
| SMILES | N#CC1=C(N)N(C2=CC=CC(Br)=C2)N=C1C |
| Synonyms | 1072944-89-8,
5-Amino-1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbonitrile,
5-AMINO-1-(3-BROMOPHENYL)-4-CYANO-3-METHYLPYRAZOLE,
ACMC-2098pv,
CTK4A5180,
DTXSID00674826,
ANW-15569,
MFCD11504941,
ZINC38537282,
AKOS015854679,
RTR-001488,
AJ-96038,
AX8229325,
BC4718536,
TR-001488,
ST24023807,
Z6992,
A-4484,
I14-25484,
C11H9BrN4,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.125g/mol |
| Monoisotopic Mass | 276.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number