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860193-39-1 | 4(3H)-Quinazolinone, 3-(3-iodopropyl)-
CAS No: 860193-39-1 Catalog No: AG004Q24 MDL No:
Product Description
Catalog Number:
AG004Q24
Chemical Name:
4(3H)-Quinazolinone, 3-(3-iodopropyl)-
CAS Number:
860193-39-1
Molecular Formula:
C11H11IN2O
Molecular Weight:
314.1223
IUPAC Name:
3-(3-iodopropyl)quinazolin-4-one
InChI:
InChI=1S/C11H11IN2O/c12-6-3-7-14-8-13-10-5-2-1-4-9(10)11(14)15/h1-2,4-5,8H,3,6-7H2
InChI Key:
SAJWZIXHHGMJEA-UHFFFAOYSA-N
SMILES:
ICCCn1cnc2c(c1=O)cccc2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.126g/mol
Monoisotopic Mass:
313.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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