| CAS Number | 903556-85-4 |
| Catalog Number | AG00H33D |
| Chemical Name | 5-(Aminomethyl)benzo[d]oxazol-2(3H)-one hydrochloride |
| IUPAC Name | 5-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride |
| InChI | InChI=1S/C8H8N2O2.ClH/c9-4-5-1-2-7-6(3-5)10-8(11)12-7;/h1-3H,4,9H2,(H,10,11);1H |
| InChI Key | ARINPZHIQKLUAU-UHFFFAOYSA-N |
| MDL Number | MFCD20278305 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | Cl.NCC1=CC2=C(OC(N2)=O)C=C1 |
| Synonyms | 903556-85-4,
5-(Aminomethyl)benzo[d]oxazol-2(3H)-one hydrochloride,
5-Aminomethyl-3H-benzooxazol-2-one hydrochloride,
5-(aminomethyl)-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride,
2977AJ,
AKOS022182100,
Z-6662,
Z2754450056,
C8H8N2O2.HCl,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.622g/mol |
| Monoisotopic Mass | 200.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number