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 |
-
Catalog: BB045572
2-(1,5-Dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
Detail
-
Catalog: BB046038
2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
Detail
-
Catalog: BB016998
2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one
Detail
-
Catalog: BB042544
2(1H)-Quinazolinone, 6-methyl-
Detail
-
Catalog: BB077771
12-oxo-N-[1-(propan-2-yl)piperidin-4-yl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
Detail
-
Catalog: BB031136
2-(Chloromethyl)quinazoline
Detail
-
Catalog: BB044481
1,3-Dioxolo[4,5-g]quinazolin-6(5H)-one
Detail
-
Catalog: BB023557
2-(Chloromethyl)-4(3H)-quinazolinone
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinazolines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS