| CAS Number | 15325-51-6 |
| Catalog Number | AG00AMLX(AGN-PC-0O4D3H) |
| Chemical Name | Isophthalamidoxime |
| IUPAC Name | 1-N',3-N'-dihydroxybenzene-1,3-dicarboximidamide |
| InChI | InChI=1S/C8H10N4O2/c9-7(11-13)5-2-1-3-6(4-5)8(10)12-14/h1-4,13-14H,(H2,9,11)(H2,10,12) |
| InChI Key | JVXOIYJLJWAUQP-UHFFFAOYSA-N |
| MDL Number | MFCD16659870 |
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.1906 |
| NSC Number | 114711 |
| SMILES | ONC(C1=CC(C(NO)=N)=CC=C1)=N |
| Synonyms | 15325-51-6,
N1,N3-Dihydroxyisophthalimidamide,
Isophthaldiamidoxime,
NSC114711,
AC1Q7DEW,
n'1,n'3-dihydroxybenzene-1,3-dicarboximidamide,
JVXOIYJLJWAUQP-UHFFFAOYSA-N,
AKOS027250883,
NSC-114711,
Isophthalamidoxime,
N,N''-dihydroxy-isophthalamidine,
AR-1K4965,
CID9603659,
29078-50-0,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 194.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.194g/mol |
| Monoisotopic Mass | 194.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number