| CAS Number | 226901-50-4 |
| Catalog Number | AG00I4GU(AGN-PC-037G3V) |
| Chemical Name | 1H-Indole-1-acetic acid, 5-nitro- |
| IUPAC Name | 2-(5-nitroindol-1-yl)acetic acid |
| InChI | InChI=1S/C10H8N2O4/c13-10(14)6-11-4-3-7-5-8(12(15)16)1-2-9(7)11/h1-5H,6H2,(H,13,14) |
| InChI Key | DEZZRGNPRLQDCF-UHFFFAOYSA-N |
| MDL Number | MFCD11205787 |
| Molecular Formula | C10H8N2O4 |
| Molecular Weight | 220.1815 |
| SMILES | O=C(O)CN1C=CC2=C1C=CC([N+]([O-])=O)=C2 |
| Synonyms | 226901-50-4,
(5-Nitro-1H-indol-1-yl)acetic acid,
2-(5-nitro-1H-indol-1-yl)acetic acid,
1H-Indole-1-acetic acid, 5-nitro-,
AC1Q75UR,
SCHEMBL3184801,
CTK0I8360,
DTXSID70611329,
DEZZRGNPRLQDCF-UHFFFAOYSA-N,
MFCD11205787,
ZINC36925252,
AKOS009322979,
MCULE-9046773085,
NE52075,
AS-40579,
EN300-58909,
Z910843216,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.184g/mol |
| Monoisotopic Mass | 220.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number