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1227170-09-3 | 4(3H)-Quinazolinone, 2,7-dichloro-6-fluoro-
CAS No: 1227170-09-3 Catalog No: AG000J1F MDL No:
Product Description
Catalog Number:
AG000J1F
Chemical Name:
4(3H)-Quinazolinone, 2,7-dichloro-6-fluoro-
CAS Number:
1227170-09-3
Molecular Formula:
C8H3Cl2FN2O
Molecular Weight:
233.0266
IUPAC Name:
2,7-dichloro-6-fluoro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H3Cl2FN2O/c9-4-2-6-3(1-5(4)11)7(14)13-8(10)12-6/h1-2H,(H,12,13,14)
InChI Key:
ZOCZSZOKKFQVEL-UHFFFAOYSA-N
SMILES:
Fc1cc2c(cc1Cl)nc([nH]c2=O)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.961g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.023g/mol
Monoisotopic Mass:
231.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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