| CAS Number | 37531-32-1 |
| Catalog Number | AG0079IL(AGN-PC-02U1GI) |
| Chemical Name | 3-Amino-4-phenoxybenzoic acid |
| IUPAC Name | 3-amino-4-phenoxybenzoic acid |
| InChI | InChI=1S/C13H11NO3/c14-11-8-9(13(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8H,14H2,(H,15,16) |
| InChI Key | BBCRLBBRTVEVSP-UHFFFAOYSA-N |
| MDL Number | MFCD12896443 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | NC1=C(OC2=CC=CC=C2)C=CC(C(O)=O)=C1 |
| Synonyms | 3-amino-4-phenoxybenzoic acid,
37531-32-1,
SCHEMBL11773246,
CTK8C2537,
DTXSID50608095,
AC1Q5181,
4804AB,
ANW-68556,
ZINC37933405,
AKOS005795189,
MCULE-1116659996,
NE19308,
AJ-94403,
TC-157301,
EN300-66403,
Z1259192117,
3-Amino-4-phenoxybenzoicacid,
C13H11NO3,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number