| CAS Number | 115577-76-9 |
| Catalog Number | AG019UKJ(AGN-PC-0P7TK8) |
| Chemical Name | (4-Amino-3-nitrophenyl)(phenyl)methanol |
| IUPAC Name | (4-amino-3-nitrophenyl)-phenylmethanol |
| InChI | InChI=1S/C13H12N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8,13,16H,14H2 |
| InChI Key | GBDIHFMPEGTCBK-UHFFFAOYSA-N |
| MDL Number | MFCD08442155 |
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.2460 |
| SMILES | NC1=C([N+]([O-])=O)C=C(C(C2=CC=CC=C2)O)C=C1 |
| Synonyms | (4-amino-3-nitrophenyl)(phenyl)methanol,
115577-76-9,
SCHEMBL9198122,
CTK7J6285,
GBDIHFMPEGTCBK-UHFFFAOYSA-N,
AKOS000124827,
AKOS016899599,
MCULE-7670958434,
NE21717,
4-amino-3-nitro-alpha-phenylbenzenemethanol,
EN300-41960,
AB01000128-01,
Z228586292,
AC1Q50QF,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.084792g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.25g/mol |
| Monoisotopic Mass | 244.084792g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number