| CAS Number | 35757-19-8 |
| Catalog Number | AG01C26J(AGN-PC-0JOK1B) |
| Chemical Name | 2-Bromo-3-nitrobenzamide |
| IUPAC Name | 2-bromo-3-nitrobenzamide |
| InChI | InChI=1S/C7H5BrN2O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,(H2,9,11) |
| InChI Key | TXFBJRKUCSPKPD-UHFFFAOYSA-N |
| MDL Number | MFCD00086360 |
| Molecular Formula | C7H5BrN2O3 |
| Molecular Weight | 245.0302 |
| NSC Number | 62481 |
| SMILES | NC(C1=C(Br)C([N+]([O-])=O)=CC=C1)=O |
| Synonyms | 2-bromo-3-nitrobenzamide,
35757-19-8,
NSC62481,
AC1L6KJZ,
AC1Q5ATS,
3-Nitro-2-bromobenzamide,
CTK4H5312,
DTXSID40289630,
ZINC1691164,
NSC-62481,
AKOS024323607,
FCH1329836,
MCULE-9222615241,
BBV-40205943,
AX8277411,
EN300-250017,
AR-1D9471,
CID247572,
40502-72-5,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.032g/mol |
| Monoisotopic Mass | 243.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number