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18009-11-5 | 4(1H)-Quinazolinone, 6-bromo-3-(3-chlorophenyl)-2,3-dihydro-2-thioxo-
CAS No: 18009-11-5 Catalog No: AG0021P8 MDL No:
Product Description
Catalog Number:
AG0021P8
Chemical Name:
4(1H)-Quinazolinone, 6-bromo-3-(3-chlorophenyl)-2,3-dihydro-2-thioxo-
CAS Number:
18009-11-5
Molecular Formula:
C14H8BrClN2OS
Molecular Weight:
367.6481
IUPAC Name:
6-bromo-3-(3-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H8BrClN2OS/c15-8-4-5-12-11(6-8)13(19)18(14(20)17-12)10-3-1-2-9(16)7-10/h1-7H,(H,17,20)
InChI Key:
SCAJNZPUZVONKK-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1c(=S)[nH]c2c(c1=O)cc(cc2)Br
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.923g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.645g/mol
Monoisotopic Mass:
365.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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