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206190-28-5 | 4(3H)-Quinazolinone, 6-phenyl-
CAS No: 206190-28-5 Catalog No: AG002AJW MDL No:MFCD18827555
Product Description
Catalog Number:
AG002AJW
Chemical Name:
4(3H)-Quinazolinone, 6-phenyl-
CAS Number:
206190-28-5
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD18827555
IUPAC Name:
6-phenyl-3H-quinazolin-4-one
InChI:
InChI=1S/C14H10N2O/c17-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)15-9-16-14/h1-9H,(H,15,16,17)
InChI Key:
ZQYGHFBZNVXDQB-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1cc(cc2)c1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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