5-Nitrobenzoxazole-2-methanamine - CAS 918106-43-1
Catalog: |
BB040357 |
Product Name: |
5-Nitrobenzoxazole-2-methanamine |
CAS: |
918106-43-1 |
Synonyms: |
(5-nitro-1,3-benzoxazol-2-yl)methanamine; (5-nitro-1,3-benzoxazol-2-yl)methanamine |
IUPAC Name: | (5-nitro-1,3-benzoxazol-2-yl)methanamine |
Description: | 5-Nitrobenzoxazole-2-methanamine (CAS# 918106-43-1 ) is a useful research chemical. |
Molecular Weight: | 193.16 |
Molecular Formula: | C8H7N3O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)CN |
InChI: | InChI=1S/C8H7N3O3/c9-4-8-10-6-3-5(11(12)13)1-2-7(6)14-8/h1-3H,4,9H2 |
InChI Key: | QLTDDANGPAIMRB-UHFFFAOYSA-N |
LogP: | 2.41820 |
Publication Number | Title | Priority Date |
US-2008176874-A1 | Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same | 20050701 |
US-2009163522-A1 | Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same | 20050701 |
US-7504406-B2 | Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same | 20050701 |
US-8008310-B2 | Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same | 20050701 |
WO-2007003765-A1 | Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same | 20050701 |
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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