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167994-99-2 | 4(3H)-Quinazolinone, 6-chloro-2-(2-thienyl)-
CAS No: 167994-99-2 Catalog No: AG001XQ6 MDL No:
Product Description
Catalog Number:
AG001XQ6
Chemical Name:
4(3H)-Quinazolinone, 6-chloro-2-(2-thienyl)-
CAS Number:
167994-99-2
Molecular Formula:
C12H7ClN2OS
Molecular Weight:
262.7148
IUPAC Name:
6-chloro-2-thiophen-2-yl-3H-quinazolin-4-one
InChI:
InChI=1S/C12H7ClN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6H,(H,14,15,16)
InChI Key:
HBSBPTJLRMITAA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)[nH]c(n2)c1cccs1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.711g/mol
Monoisotopic Mass:
261.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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