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5558-95-2 | 2-Trichloromethyl-4(3H)-quinazolinone
CAS No: 5558-95-2 Catalog No: AG003HYD MDL No:
Product Description
Catalog Number:
AG003HYD
Chemical Name:
2-Trichloromethyl-4(3H)-quinazolinone
CAS Number:
5558-95-2
IUPAC Name:
2-(trichloromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H5Cl3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15)
InChI Key:
BFLBZZSGIIUGIX-UHFFFAOYSA-N
EC Number:
226-927-2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.947g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.502g/mol
Monoisotopic Mass:
261.947g/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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