| CAS Number | 56008-61-8 |
| Catalog Number | AG00DMXQ(AGN-PC-0JP478) |
| Chemical Name | 2-amino-5-nitro-benzaldehyde |
| IUPAC Name | 2-amino-5-nitrobenzaldehyde |
| InChI | InChI=1S/C7H6N2O3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H,8H2 |
| InChI Key | BXXBQHFYNFGHNG-UHFFFAOYSA-N |
| MDL Number | MFCD09834917 |
| Molecular Formula | C7H6N2O3 |
| Molecular Weight | 166.1341 |
| NSC Number | 129607 |
| SMILES | O=CC1=CC([N+]([O-])=O)=CC=C1N |
| Synonyms | 2-amino-5-nitrobenzaldehyde,
56008-61-8,
2-AMINO-5-NITRO-BENZALDEHYDE,
NSC129607,
AC1L5PU1,
AC1Q6Q3M,
Benzaldehyde,2-amino-5-nitro-,
SCHEMBL2923685,
Benzaldehyde, 2-amino-5-nitro-,
CTK5A4485,
DTXSID10299362,
BXXBQHFYNFGHNG-UHFFFAOYSA-N,
ZINC4830929,
AKOS006327499,
AB52848,
NSC-129607,
AR-1D8519,
CID279260,
56487-84-4,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.136g/mol |
| Monoisotopic Mass | 166.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number