| CAS Number | 750599-00-9 |
| Catalog Number | AG019K3M |
| Chemical Name | [2-(Phenoxymethyl)-1h-benzimidazol-1-yl]acetic acid |
| IUPAC Name | 2-[2-(phenoxymethyl)benzimidazol-1-yl]acetic acid |
| InChI | InChI=1S/C16H14N2O3/c19-16(20)10-18-14-9-5-4-8-13(14)17-15(18)11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20) |
| InChI Key | JHCQBJMAELFRHV-UHFFFAOYSA-N |
| MDL Number | MFCD06335036 |
| Molecular Formula | C16H14N2O3 |
| Molecular Weight | 282.2940 |
| SMILES | OC(CN1C2=C(C=CC=C2)N=C1COC1=CC=CC=C1)=O |
| Synonyms | 2-[2-(phenoxymethyl)-1H-1,3-benzodiazol-1-yl]acetic acid,
[2-(phenoxymethyl)-1H-benzimidazol-1-yl]acetic acid,
750599-00-9,
AC1MWRAP,
AC1Q75TY,
CTK8F2425,
ZINC2650687,
AKOS005144684,
MCULE-5230749812,
NE22983,
EN300-25405,
2-[2-(phenoxymethyl)benzimidazol-1-yl]acetic acid,
Z55928947,
[2-(Phenoxymethyl)-1H-benzimidazol-1-yl]acetic acid, AldrichCPR,
1011405-17-6,
CID3803820,
2-[2-(phenoxymethyl)benzoimidazol-1-yl]acetic Acid,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.299g/mol |
| Monoisotopic Mass | 282.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number