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878699-59-3 | 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CAS No: 878699-59-3 Catalog No: AG004EDQ MDL No:MFCD01850754
Product Description
Catalog Number:
AG004EDQ
Chemical Name:
2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CAS Number:
878699-59-3
Molecular Formula:
C8H7ClN2OS
Molecular Weight:
214.6720
MDL Number:
MFCD01850754
IUPAC Name:
2-(chloromethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C8H7ClN2OS/c1-4-2-5-7(12)10-6(3-9)11-8(5)13-4/h2H,3H2,1H3,(H,10,11,12)
InChI Key:
MXAYFCHUXRRPQJ-UHFFFAOYSA-N
SMILES:
ClCc1nc2sc(cc2c(=O)[nH]1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.667g/mol
Monoisotopic Mass:
213.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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