| CAS Number | 1416440-54-4 |
| Catalog Number | AG001GT4(AGN-PC-0WCYP9) |
| Chemical Name | 2-Amino-3-iodo-5-nitrobenzoic acid |
| IUPAC Name | 2-amino-3-iodo-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5IN2O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,9H2,(H,11,12) |
| InChI Key | VKNLWOAEKSUWLH-UHFFFAOYSA-N |
| MDL Number | MFCD22690099 |
| Molecular Formula | C7H5IN2O4 |
| Molecular Weight | 308.0301 |
| SMILES | NC1=C(I)C=C(C=C1C(O)=O)[N+]([O-])=O |
| Synonyms | 2-AMINO-3-IODO-5-NITROBENZOIC ACID,
1416440-54-4,
MFCD22690099,
ZINC91692397,
AKOS027330451,
FCH2309243,
Benzoic acid, 2-amino-3-iodo-5-nitro-,
AS-38822,
AX8266995,
X-2356,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.031g/mol |
| Monoisotopic Mass | 307.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number