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77747-22-9 | 2,4(1H,3H)-Quinazolinedione, 6-iodo-3-phenyl-, 2-hydrazone
CAS No: 77747-22-9 Catalog No: AG0057SP MDL No:
Product Description
Catalog Number:
AG0057SP
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-iodo-3-phenyl-, 2-hydrazone
CAS Number:
77747-22-9
Molecular Formula:
C14H11IN4O
Molecular Weight:
378.1678
IUPAC Name:
2-hydrazinyl-6-iodo-3-phenylquinazolin-4-one
InChI:
InChI=1S/C14H11IN4O/c15-9-6-7-12-11(8-9)13(20)19(14(17-12)18-16)10-4-2-1-3-5-10/h1-8H,16H2,(H,17,18)
InChI Key:
SMQCBRPPRVTUQI-UHFFFAOYSA-N
SMILES:
NN=c1[nH]c2ccc(cc2c(=O)n1c1ccccc1)I
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.998g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.173g/mol
Monoisotopic Mass:
377.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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