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Home > Nitro Compounds > 1272756-10-1
1272756-10-1 | Spiro[cyclobutane-1,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-nitro-
CAS No: 1272756-10-1 Catalog No: AG000WV5 MDL No:MFCD18651723
Product Description
Catalog Number:
AG000WV5
Chemical Name:
Spiro[cyclobutane-1,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-nitro-
CAS Number:
1272756-10-1
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD18651723
IUPAC Name:
6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-4-one
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
SMILES:
O=C1NC2(CCC2)Nc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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