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119458-03-6 | 4(3H)-Quinazolinone, 3-(2-chloroacetyl)-2-methyl-
CAS No: 119458-03-6 Catalog No: AG000IUI MDL No:
Product Description
Catalog Number:
AG000IUI
Chemical Name:
4(3H)-Quinazolinone, 3-(2-chloroacetyl)-2-methyl-
CAS Number:
119458-03-6
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
IUPAC Name:
3-(2-chloroacetyl)-2-methylquinazolin-4-one
InChI:
InChI=1S/C11H9ClN2O2/c1-7-13-9-5-3-2-4-8(9)11(16)14(7)10(15)6-12/h2-5H,6H2,1H3
InChI Key:
IEWWPNQZIPLNCZ-UHFFFAOYSA-N
SMILES:
ClCC(=O)n1c(C)nc2c(c1=O)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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