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1593596-55-4 | 2(1H)-Quinazolinone, 7-chloro-6-fluoro-
CAS No: 1593596-55-4 Catalog No: AG001QMF MDL No:
Product Description
Catalog Number:
AG001QMF
Chemical Name:
2(1H)-Quinazolinone, 7-chloro-6-fluoro-
CAS Number:
1593596-55-4
Molecular Formula:
C8H4ClFN2O
Molecular Weight:
198.5816
IUPAC Name:
7-chloro-6-fluoro-1H-quinazolin-2-one
InChI:
InChI=1S/C8H4ClFN2O/c9-5-2-7-4(1-6(5)10)3-11-8(13)12-7/h1-3H,(H,11,12,13)
InChI Key:
MFWKTIFWAPWEFW-UHFFFAOYSA-N
SMILES:
Fc1cc2cnc(=O)[nH]c2cc1Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.581g/mol
Monoisotopic Mass:
198g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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