6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclobutane]-4-one - CAS 1272756-10-1
Catalog: |
BB006764 |
Product Name: |
6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclobutane]-4-one |
CAS: |
1272756-10-1 |
Synonyms: |
6-nitro-4-spiro[1,3-dihydroquinazoline-2,1'-cyclobutane]one; 6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-4-one |
IUPAC Name: | 6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-4-one |
Description: | 6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclobutane]-4-one (CAS# 1272756-10-1) is a useful research chemical. |
Molecular Weight: | 233.22 |
Molecular Formula: | C11H11N3O3 |
Canonical SMILES: | C1CC2(C1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2 |
InChI: | InChI=1S/C11H11N3O3/c15-10-8-6-7(14(16)17)2-3-9(8)12-11(13-10)4-1-5-11/h2-3,6,12H,1,4-5H2,(H,13,15) |
InChI Key: | PGSURDWUMJXDOU-UHFFFAOYSA-N |
Storage: | Sealed in dry, Store in freezer, under -20 °C |
LogP: | 2.30190 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.08004122 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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