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199114-62-0 | 4(3H)-Quinazolinone, 2-(chloromethyl)-3-methyl-
CAS No: 199114-62-0 Catalog No: AG002BWJ MDL No:MFCD07838408
Product Description
Catalog Number:
AG002BWJ
Chemical Name:
4(3H)-Quinazolinone, 2-(chloromethyl)-3-methyl-
CAS Number:
199114-62-0
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD07838408
IUPAC Name:
2-(chloromethyl)-3-methylquinazolin-4-one
InChI:
InChI=1S/C10H9ClN2O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3
InChI Key:
NDYMABNTFFJQLH-UHFFFAOYSA-N
SMILES:
ClCc1nc2ccccc2c(=O)n1C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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