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23441-64-7 | 2(1H)-Quinazolinone, 6-chloro-1-ethyl-4-phenyl-
CAS No: 23441-64-7 Catalog No: AG002N8B MDL No:
Product Description
Catalog Number:
AG002N8B
Chemical Name:
2(1H)-Quinazolinone, 6-chloro-1-ethyl-4-phenyl-
CAS Number:
23441-64-7
Molecular Formula:
C16H13ClN2O
Molecular Weight:
284.7402
IUPAC Name:
6-chloro-1-ethyl-4-phenylquinazolin-2-one
InChI:
InChI=1S/C16H13ClN2O/c1-2-19-14-9-8-12(17)10-13(14)15(18-16(19)20)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChI Key:
XFCMFSCCYUTDMB-UHFFFAOYSA-N
SMILES:
CCn1c(=O)nc(c2c1ccc(c2)Cl)c1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.743g/mol
Monoisotopic Mass:
284.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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