| CAS Number | 64037-13-4 |
| Catalog Number | AG00EZ3C(AGN-PC-0TB50O) |
| Chemical Name | 5-iodo-1,3-benzoxazol-2-amine |
| IUPAC Name | 5-iodo-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C7H5IN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) |
| InChI Key | VLQYRAJKFGZRNV-UHFFFAOYSA-N |
| MDL Number | MFCD01664143 |
| Molecular Formula | C7H5IN2O |
| Molecular Weight | 260.0319 |
| NSC Number | 24980 |
| SMILES | Ic1ccc2c(c1)nc(o2)N |
| Synonyms | 64037-13-4,
2-Benzoxazolamine, 5-iodo-,
2-Amino-5-iodobenzoxazole,
BENZOXAZOLE, 2-AMINO-5-IODO-,
5-Iodobenzo[d]oxazol-2-amine,
5-iodo-1,3-benzoxazol-2-amine,
NSC24980,
AC1L2FXR,
5-Iodo-2-benzoxazolamine,
2-Amino-5-iodobenzo[d]oxazole,
SCHEMBL15679284,
DTXSID10214035,
NSC-24980,
ZINC17285292,
LS-42135,
C7H5IN2O,
C7-H5-I-N2-O,
CID46386,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.034g/mol |
| Monoisotopic Mass | 259.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number