6-Nitrobenzoxazole-2-methanamine - CAS 944897-51-2
Catalog: |
BB041350 |
Product Name: |
6-Nitrobenzoxazole-2-methanamine |
CAS: |
944897-51-2 |
Synonyms: |
(6-nitro-1,3-benzoxazol-2-yl)methanamine; (6-nitro-1,3-benzoxazol-2-yl)methanamine |
IUPAC Name: | (6-nitro-1,3-benzoxazol-2-yl)methanamine |
Description: | 6-Nitrobenzoxazole-2-methanamine (CAS# 944897-51-2 ) is a useful research chemical. |
Molecular Weight: | 193.16 |
Molecular Formula: | C8H7N3O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)CN |
InChI: | InChI=1S/C8H7N3O3/c9-4-8-10-6-2-1-5(11(12)13)3-7(6)14-8/h1-3H,4,9H2 |
InChI Key: | VTSCOUKLGUCRDN-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.04874109 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Benzoxazole/Benzothiazole
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