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Home > Nitro Compounds > 134604-04-9
134604-04-9 | 6-NITRO-2-PROPYL-4(3H)-QUINAZOLINONE
CAS No: 134604-04-9 Catalog No: AG01DKHM MDL No:MFCD08899045
Product Description
Catalog Number:
AG01DKHM
Chemical Name:
6-NITRO-2-PROPYL-4(3H)-QUINAZOLINONE
CAS Number:
134604-04-9
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD08899045
IUPAC Name:
6-nitro-2-propyl-3H-quinazolin-4-one
InChI:
InChI=1S/C11H11N3O3/c1-2-3-10-12-9-5-4-7(14(16)17)6-8(9)11(15)13-10/h4-6H,2-3H2,1H3,(H,12,13,15)
InChI Key:
SAVKIDNFZIWZGU-UHFFFAOYSA-N
SMILES:
CCCc1nc2ccc(cc2c(=O)[nH]1)[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:
1
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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