| CAS Number | 62893-37-2 |
| Catalog Number | AG00JKI1(AGN-PC-0JQEH2) |
| Chemical Name | 4-Azidobenzeneacetic acid |
| IUPAC Name | 2-(4-azidophenyl)acetic acid |
| InChI | InChI=1S/C8H7N3O2/c9-11-10-7-3-1-6(2-4-7)5-8(12)13/h1-4H,5H2,(H,12,13) |
| InChI Key | QQKGBHZEZFKXGO-UHFFFAOYSA-N |
| MDL Number | MFCD22989463 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| NSC Number | 620286 |
| SMILES | [N-]=[N+]=NC1=CC=C(C=C1)CC(=O)O |
| Synonyms | 2-(4-azidophenyl)acetic acid,
4-azidophenylacetic acid,
(4-azidophenyl)acetic acid,
62893-37-2,
NSC620286,
p-azidophenylacetic acid,
AC1L7ELQ,
AC1Q5VIA,
SCHEMBL13754453,
ZINC17187284,
AKOS025148656,
NSC-620286,
CID359422,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number