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129112-64-7 | 4(3H)-Quinazolinone, 2-chloro-7-nitro-
CAS No: 129112-64-7 Catalog No: AG000YVN MDL No:
Product Description
Catalog Number:
AG000YVN
Chemical Name:
4(3H)-Quinazolinone, 2-chloro-7-nitro-
CAS Number:
129112-64-7
Molecular Formula:
C8H4ClN3O3
Molecular Weight:
225.5887
IUPAC Name:
2-chloro-7-nitro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H4ClN3O3/c9-8-10-6-3-4(12(14)15)1-2-5(6)7(13)11-8/h1-3H,(H,10,11,13)
InChI Key:
AXZHXOUENOJTBD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]c2=O)Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.588g/mol
Monoisotopic Mass:
224.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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