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138655-32-0 | 2,4(1H,3H)-Quinazolinedione, 6-bromo-3-(3-mercaptopropyl)-
CAS No: 138655-32-0 Catalog No: AG0018Y3 MDL No:
Product Description
Catalog Number:
AG0018Y3
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-bromo-3-(3-mercaptopropyl)-
CAS Number:
138655-32-0
Molecular Formula:
C11H11BrN2O2S
Molecular Weight:
315.1862
IUPAC Name:
6-bromo-3-(3-sulfanylpropyl)-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C11H11BrN2O2S/c12-7-2-3-9-8(6-7)10(15)14(4-1-5-17)11(16)13-9/h2-3,6,17H,1,4-5H2,(H,13,16)
InChI Key:
SGVFIBBIFULTEO-UHFFFAOYSA-N
SMILES:
SCCCn1c(=O)[nH]c2c(c1=O)cc(cc2)Br
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.185g/mol
Monoisotopic Mass:
313.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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