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1245811-20-4 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-chloro-
CAS No: 1245811-20-4 Catalog No: AG000MFD MDL No:MFCD19382468
Product Description
Catalog Number:
AG000MFD
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-chloro-
CAS Number:
1245811-20-4
Molecular Formula:
C6H3ClN2OS
Molecular Weight:
186.6188
MDL Number:
MFCD19382468
IUPAC Name:
2-chloro-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C6H3ClN2OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H,8,9,10)
InChI Key:
SLIDFTPKOQIIMW-UHFFFAOYSA-N
SMILES:
Clc1nc2ccsc2c(=O)[nH]1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.613g/mol
Monoisotopic Mass:
185.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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