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174313-65-6 | 4(3H)-Quinazolinone, 6-bromo-2-(methylthio)-
CAS No: 174313-65-6 Catalog No: AG001ZL4 MDL No:MFCD27946140
Product Description
Catalog Number:
AG001ZL4
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-2-(methylthio)-
CAS Number:
174313-65-6
Molecular Formula:
C9H7BrN2OS
Molecular Weight:
271.1337
MDL Number:
MFCD27946140
IUPAC Name:
6-bromo-2-methylsulfanyl-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7BrN2OS/c1-14-9-11-7-3-2-5(10)4-6(7)8(13)12-9/h2-4H,1H3,(H,11,12,13)
InChI Key:
SVBCWQRLMSLKSY-UHFFFAOYSA-N
SMILES:
CSc1nc2ccc(cc2c(=O)[nH]1)Br
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.132g/mol
Monoisotopic Mass:
269.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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