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137240-12-1 | Thieno[2,3-d]pyrimidin-4(1H)-one, 5-chloro-
CAS No: 137240-12-1 Catalog No: AG0012ZQ MDL No:MFCD23135811
Product Description
Catalog Number:
AG0012ZQ
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 5-chloro-
CAS Number:
137240-12-1
Molecular Formula:
C6H3ClN2OS
Molecular Weight:
186.6188
MDL Number:
MFCD23135811
IUPAC Name:
5-chloro-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H3ClN2OS/c7-3-1-11-6-4(3)5(10)8-2-9-6/h1-2H,(H,8,9,10)
InChI Key:
DTMRVPCIHOZJBC-UHFFFAOYSA-N
SMILES:
Clc1csc2c1c(=O)nc[nH]2
Properties
Complexity:
221
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:
1.3
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