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13164-99-3 | 4(3H)-Quinazolinone, 6-chloro-2-ethyl-
CAS No: 13164-99-3 Catalog No: AG000ZJO MDL No:
Product Description
Catalog Number:
AG000ZJO
Chemical Name:
4(3H)-Quinazolinone, 6-chloro-2-ethyl-
CAS Number:
13164-99-3
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
IUPAC Name:
6-chloro-2-ethyl-3H-quinazolin-4-one
InChI:
InChI=1S/C10H9ClN2O/c1-2-9-12-8-4-3-6(11)5-7(8)10(14)13-9/h3-5H,2H2,1H3,(H,12,13,14)
InChI Key:
WOKMAFVSZPCIIC-UHFFFAOYSA-N
SMILES:
CCc1nc2ccc(cc2c(=O)[nH]1)Cl
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:
1
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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