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823195-65-9 | 4(3H)-Quinazolinethione, 3-(4-bromophenyl)-6-chloro-2-methyl-
CAS No: 823195-65-9 Catalog No: AG0054NX MDL No:
Product Description
Catalog Number:
AG0054NX
Chemical Name:
4(3H)-Quinazolinethione, 3-(4-bromophenyl)-6-chloro-2-methyl-
CAS Number:
823195-65-9
Molecular Formula:
C15H10BrClN2S
Molecular Weight:
365.6753
IUPAC Name:
3-(4-bromophenyl)-6-chloro-2-methylquinazoline-4-thione
InChI:
InChI=1S/C15H10BrClN2S/c1-9-18-14-7-4-11(17)8-13(14)15(20)19(9)12-5-2-10(16)3-6-12/h2-8H,1H3
InChI Key:
MTIAOLNWMIJIQY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1c(C)nc2c(c1=S)cc(cc2)Cl
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.944g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.673g/mol
Monoisotopic Mass:
363.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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