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147005-91-2 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(chloromethyl)-
CAS No: 147005-91-2 Catalog No: AG001EIX MDL No:MFCD04621454
Product Description
Catalog Number:
AG001EIX
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(chloromethyl)-
CAS Number:
147005-91-2
Molecular Formula:
C7H5ClN2OS
Molecular Weight:
200.6454
MDL Number:
MFCD04621454
IUPAC Name:
2-(chloromethyl)-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C7H5ClN2OS/c8-3-5-9-4-1-2-12-6(4)7(11)10-5/h1-2H,3H2,(H,9,10,11)
InChI Key:
OYXDNHXAYQNSHE-UHFFFAOYSA-N
SMILES:
ClCc1nc2ccsc2c(=O)[nH]1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.64g/mol
Monoisotopic Mass:
199.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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