| CAS Number | 955575-53-8 |
| Catalog Number | AG005ZQB(AGN-PC-0WA997) |
| Chemical Name | 4-(4-Bromophenyl)-5-methyl-2H-pyrazol-3-amine |
| IUPAC Name | 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14) |
| InChI Key | XBGQAVPNQRLZOV-UHFFFAOYSA-N |
| MDL Number | MFCD09463175 |
| Molecular Formula | C10H10BrN3 |
| Molecular Weight | 252.1105 |
| SMILES | NC1=C(C2=CC=C(Br)C=C2)C(C)=NN1 |
| Synonyms | 955575-53-8,
4-(4-Bromophenyl)-3-methyl-1H-pyrazol-5-amine,
5-Amino-4-(4-bromophenyl)-3-methylpyrazole,
4-(4-bromophenyl)-5-methyl-2H-pyrazol-3-amine,
SCHEMBL13310491,
CTK5I7189,
CTK8F6718,
DTXSID80589429,
ZINC8701292,
KM3347,
AKOS009142305,
AKOS022316433,
V9624,
4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine,
4-(4-bromophenyl)-5-methyl-2h-pyrazol-3-ylamine,
5-Amino-4-(4-bromophenyl)-3-methylpyrazole, 96%,
Z274574824,
C10H10BrN3,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.115g/mol |
| Monoisotopic Mass | 251.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H318
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number