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18009-10-4 | 4(1H)-Quinazolinone, 6-bromo-2,3-dihydro-3-(4-methylphenyl)-2-thioxo-
CAS No: 18009-10-4 Catalog No: AG0021P9 MDL No:
Product Description
Catalog Number:
AG0021P9
Chemical Name:
4(1H)-Quinazolinone, 6-bromo-2,3-dihydro-3-(4-methylphenyl)-2-thioxo-
CAS Number:
18009-10-4
Molecular Formula:
C15H11BrN2OS
Molecular Weight:
347.2296
IUPAC Name:
6-bromo-3-(4-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C15H11BrN2OS/c1-9-2-5-11(6-3-9)18-14(19)12-8-10(16)4-7-13(12)17-15(18)20/h2-8H,1H3,(H,17,20)
InChI Key:
CJHLUNCJIYPCEK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)cc(cc2)Br
NSC Number:
639731
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.23g/mol
Monoisotopic Mass:
345.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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