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84772-19-0

84772-19-0 | 2,4(1H,3H)-Quinazolinedione, 6-bromo-3-phenyl-, 2-hydrazone

CAS No: 84772-19-0 Catalog No: AG004XTF MDL No:

Product Description

Catalog Number:
AG004XTF
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-bromo-3-phenyl-, 2-hydrazone
CAS Number:
84772-19-0
Molecular Formula:
C14H11BrN4O
Molecular Weight:
331.1673
IUPAC Name:
6-bromo-2-hydrazinyl-3-phenylquinazolin-4-one
InChI:
InChI=1S/C14H11BrN4O/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:
CPKWLACMFIABKM-UHFFFAOYSA-N
SMILES:
NN=c1[nH]c2ccc(cc2c(=O)n1c1ccccc1)Br

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.012g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.173g/mol
Monoisotopic Mass:
330.012g/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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