| CAS Number | 89980-83-6 |
| Catalog Number | AG00IFX4(AGN-PC-002BC1) |
| Chemical Name | 2-[(4-Bromo-2-nitrophenyl)amino]ethanol |
| IUPAC Name | 2-(4-bromo-2-nitroanilino)ethanol |
| InChI | InChI=1S/C8H9BrN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2 |
| InChI Key | MELNSLNFQOOTKK-UHFFFAOYSA-N |
| MDL Number | MFCD11115338 |
| Molecular Formula | C8H9BrN2O3 |
| Molecular Weight | 261.0727 |
| SMILES | OCCNC1=C(C=C(Br)C=C1)[N+]([O-])=O |
| Synonyms | 2-((4-bromo-2-nitrophenyl)amino)ethanol,
89980-83-6,
2-[(4-BROMO-2-NITROPHENYL)AMINO]ETHANOL,
SCHEMBL420259,
MELNSLNFQOOTKK-UHFFFAOYSA-N,
MFCD11115338,
ZINC19985714,
AKOS008958502,
2-(4-bromo-2-nitrophenylamino)ethanol,
AM87393,
Ethanol, 2-[(4-bromo-2-nitrophenyl)amino]-,
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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 | 259.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.075g/mol |
| Monoisotopic Mass | 259.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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