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1257043-54-1 | 4(3H)-Quinazolinone, 2-(chloromethyl)-7-methoxy-
CAS No: 1257043-54-1 Catalog No: AG000OIV MDL No:
Product Description
Catalog Number:
AG000OIV
Chemical Name:
4(3H)-Quinazolinone, 2-(chloromethyl)-7-methoxy-
CAS Number:
1257043-54-1
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
IUPAC Name:
2-(chloromethyl)-7-methoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C10H9ClN2O2/c1-15-6-2-3-7-8(4-6)12-9(5-11)13-10(7)14/h2-4H,5H2,1H3,(H,12,13,14)
InChI Key:
NGMOHIZLMYXGNO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]c2=O)CCl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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