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923018-97-7 | 4(3H)-Quinazolinone, 3-(4-iodobutyl)-
CAS No: 923018-97-7 Catalog No: AG0068Q8 MDL No:
Product Description
Catalog Number:
AG0068Q8
Chemical Name:
4(3H)-Quinazolinone, 3-(4-iodobutyl)-
CAS Number:
923018-97-7
Molecular Formula:
C12H13IN2O
Molecular Weight:
328.1489
IUPAC Name:
3-(4-iodobutyl)quinazolin-4-one
InChI:
InChI=1S/C12H13IN2O/c13-7-3-4-8-15-9-14-11-6-2-1-5-10(11)12(15)16/h1-2,5-6,9H,3-4,7-8H2
InChI Key:
KOHFYRBUXVOMOO-UHFFFAOYSA-N
SMILES:
ICCCCn1cnc2c(c1=O)cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.153g/mol
Monoisotopic Mass:
328.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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