| CAS Number | 71856-56-9 |
| Catalog Number | AG005FCQ(AGN-PC-0NJ6Z1) |
| Chemical Name | 5-Amino-1-(3-bromophenyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(3-bromophenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C10H7BrN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
| InChI Key | GTANIIIAZUVWIW-UHFFFAOYSA-N |
| MDL Number | MFCD11925713 |
| Molecular Formula | C10H7BrN4 |
| Molecular Weight | 263.0934 |
| SMILES | NC1N(C2=CC(Br)=CC=C2)N=CC=1C#N |
| Synonyms | 5-amino-1-(3-bromophenyl)-1H-pyrazole-4-carbonitrile,
71856-56-9,
1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-bromophenyl)-,
5-AMINO-1-(3-BROMO-PHENYL)-1H-PYRAZOLE-4-CARBONITRILE,
CTK2H3265,
DTXSID90500584,
MFCD11925713,
ZINC32112811,
AKOS009562953,
MCULE-7584481030,
NE43085,
AS-43064,
SC-56358,
FT-0763149,
EN300-110252,
5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carbonitr,
1-(3-Bromophenyl)-5-amino-1H-pyrazole-4-carbonitrile,
Z1436472862,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.098g/mol |
| Monoisotopic Mass | 261.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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