| CAS Number | 3623-23-2 |
| Catalog Number | AG00COTJ(AGN-PC-0JMHMF) |
| Chemical Name | 1-Bromo-4-nitrosobenzene |
| IUPAC Name | 1-bromo-4-nitrosobenzene |
| InChI | InChI=1S/C6H4BrNO/c7-5-1-3-6(8-9)4-2-5/h1-4H |
| InChI Key | KEBOFPCXLHRSEG-UHFFFAOYSA-N |
| MDL Number | MFCD02253202 |
| Molecular Formula | C6H4BrNO |
| Molecular Weight | 186.0061 |
| NSC Number | 404827 |
| SMILES | BrC1=CC=C(N=O)C=C1 |
| Synonyms | 1-Bromo-4-nitrosobenzene,
3623-23-2,
NSC404827,
NSC 404827,
1-Nitroso-4-bromobenzene,
4-Brom-1-nitroso-benzol,
1-bromo-4-nitroso-benzene,
SCHEMBL942196,
Benzene, 1-bromo-4-nitroso-,
AC1L859P,
CTK4H6117,
DTXSID80189781,
ZINC3850578,
AKOS004909135,
NSC-404827,
InChI=1/C6H4BrNO/c7-5-1-3-6(8-9)4-2-5/h1-4,
CID346563,
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| Complexity | 99.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.008g/mol |
| Monoisotopic Mass | 184.948g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number