| CAS Number | 42749-52-0 |
| Catalog Number | AG019F2D |
| Chemical Name | (2-nitrobenzyl)glycine |
| IUPAC Name | 2-[(2-nitrophenyl)methylamino]acetic acid |
| InChI | InChI=1S/C9H10N2O4/c12-9(13)6-10-5-7-3-1-2-4-8(7)11(14)15/h1-4,10H,5-6H2,(H,12,13) |
| InChI Key | PRJCIUDMDQNJCJ-UHFFFAOYSA-N |
| MDL Number | MFCD11138974 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | O=C(O)CNCC1=CC=CC=C1[N+]([O-])=O |
| Synonyms | 2-((2-nitrobenzyl)amino)acetic acid,
42749-52-0,
N-[(2-Nitrophenyl)methyl]glycine,
2-nitrobenzylglycine,
(2-Nitrobenzyl)glycine,
SCHEMBL6775069,
CTK1D3062,
DTXSID90530861,
Glycine, N-[(2-nitrophenyl)methyl]-,
2-[(2-nitrophenyl)methylamino]acetic acid,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number