| CAS Number | 1375069-21-8 |
| Catalog Number | AG0013FM(AGN-PC-0WA3E9) |
| Chemical Name | {4-[3-(Ethylcarbamoyl)phenyl]phenyl}acetic acid |
| IUPAC Name | 2-[4-[3-(ethylcarbamoyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C17H17NO3/c1-2-18-17(21)15-5-3-4-14(11-15)13-8-6-12(7-9-13)10-16(19)20/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20) |
| InChI Key | DOZVHTQLNZVOFG-UHFFFAOYSA-N |
| MDL Number | MFCD22205790 |
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.3218 |
| SMILES | CCNC(=O)c1cccc(c1)c1ccc(cc1)CC(=O)O |
| Synonyms | {4-[3-(Ethylcarbamoyl)phenyl]phenyl}acetic acid,
1375069-21-8,
ACMC-209cdr,
CTK8B0671,
DTXSID60743002,
ANW-20317,
MFCD22205790,
ZINC85477246,
AKOS024438525,
TC-109062,
B-8649,
[3'-(Ethylcarbamoyl)[1,1'-biphenyl]-4-yl]acetic acid,
[1,1'-Biphenyl]-4-acetic acid, 3'-[(ethylamino)carbonyl]-,
{4-[3-(Ethylcarbamoyl)phenyl]phenyl}aceticacid,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.327g/mol |
| Monoisotopic Mass | 283.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number