5-(Aminomethyl)benzo[d]oxazol-2(3H)-one hydrochloride - CAS 903556-85-4
Catalog: |
BB074324 |
Product Name: |
5-(Aminomethyl)benzo[d]oxazol-2(3H)-one hydrochloride |
CAS: |
903556-85-4 |
Synonyms: |
5-Aminomethyl-3H-benzooxazol-2-one hydrochloride; 5-(Aminomethyl)benzo[d]oxazol-2(3H)-one hydrochloride; 5-(aminomethyl)-3H-1,3-benzoxazol-2-one; hydrochloride; 5-(aminomethyl)-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride |
IUPAC Name: | 5-(aminomethyl)-3H-1,3-benzoxazol-2-onehydrochloride |
Molecular Weight: | 200.62 |
Molecular Formula: | C8H8N2O2·HCl |
Canonical SMILES: | C1=CC2=C(C=C1CN)NC(=O)O2.Cl |
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 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0352552 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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