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192719-22-5 | 2,4(1H,3H)-Quinazolinedione, 7-chloro-1-(2-hydroxyethyl)-
CAS No: 192719-22-5 Catalog No: AG002G8S MDL No:
Product Description
Catalog Number:
AG002G8S
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 7-chloro-1-(2-hydroxyethyl)-
CAS Number:
192719-22-5
Molecular Formula:
C10H9ClN2O3
Molecular Weight:
240.6431
IUPAC Name:
7-chloro-1-(2-hydroxyethyl)quinazoline-2,4-dione
InChI:
InChI=1S/C10H9ClN2O3/c11-6-1-2-7-8(5-6)13(3-4-14)10(16)12-9(7)15/h1-2,5,14H,3-4H2,(H,12,15,16)
InChI Key:
JCOKCKOLBFBRKE-UHFFFAOYSA-N
SMILES:
OCCn1c(=O)[nH]c(=O)c2c1cc(Cl)cc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.643g/mol
Monoisotopic Mass:
240.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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