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Home > Nitro Compounds > 158439-85-1
158439-85-1 | Spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-nitro-
CAS No: 158439-85-1 Catalog No: AG001Q6S MDL No:MFCD18651722
Product Description
Catalog Number:
AG001Q6S
Chemical Name:
Spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-nitro-
CAS Number:
158439-85-1
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD18651722
IUPAC Name:
6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one
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
SMILES:
O=C1NC2(CCCC2)Nc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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