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167157-94-0 | 4(3H)-Quinazolinone, 6-bromo-2-propoxy-3-propyl-
CAS No: 167157-94-0 Catalog No: AG001X5N MDL No:
Product Description
Catalog Number:
AG001X5N
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-2-propoxy-3-propyl-
CAS Number:
167157-94-0
Molecular Formula:
C14H17BrN2O2
Molecular Weight:
325.2010
IUPAC Name:
6-bromo-2-propoxy-3-propylquinazolin-4-one
InChI:
InChI=1S/C14H17BrN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChI Key:
FVQAEZOUDXAZGN-UHFFFAOYSA-N
SMILES:
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.206g/mol
Monoisotopic Mass:
324.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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