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128276-98-2 | Thieno[2,3-d]pyrimidine, 4-chloro-2-(dichloromethyl)-5,6-dimethyl-
CAS No: 128276-98-2 Catalog No: AG000XXR MDL No:MFCD06660697
Product Description
Catalog Number:
AG000XXR
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-chloro-2-(dichloromethyl)-5,6-dimethyl-
CAS Number:
128276-98-2
Molecular Formula:
C9H7Cl3N2S
Molecular Weight:
281.5893
MDL Number:
MFCD06660697
IUPAC Name:
4-chloro-2-(dichloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C9H7Cl3N2S/c1-3-4(2)15-9-5(3)7(12)13-8(14-9)6(10)11/h6H,1-2H3
InChI Key:
UNSJQMFFXAPWFJ-UHFFFAOYSA-N
SMILES:
ClC(c1nc(Cl)c2c(n1)sc(c2C)C)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.94g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.579g/mol
Monoisotopic Mass:
279.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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