6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-4-one - CAS 158439-85-1
Catalog: |
BB011417 |
Product Name: |
6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-4-one |
CAS: |
158439-85-1 |
Synonyms: |
6-nitro-4-spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]one; 6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one |
IUPAC Name: | 6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one |
Description: | 6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-4-one (CAS# 158439-85-1 ) is a useful research chemical. |
Molecular Weight: | 247.25 |
Molecular Formula: | C12H13N3O3 |
Canonical SMILES: | C1CCC2(C1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2 |
InChI: | InChI=1S/C12H13N3O3/c16-11-9-7-8(15(17)18)3-4-10(9)13-12(14-11)5-1-2-6-12/h3-4,7,13H,1-2,5-6H2,(H,14,16) |
InChI Key: | OYTOIBTZZHOXMR-UHFFFAOYSA-N |
LogP: | 2.69200 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.09569129 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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