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88203-19-4 | Thieno[2,3-d]pyrimidine,4-chloro-2-(chloromethyl)-5,6-dimethyl-
CAS No: 88203-19-4 Catalog No: AG004C7O MDL No:MFCD03970013
Product Description
Catalog Number:
AG004C7O
Chemical Name:
Thieno[2,3-d]pyrimidine,4-chloro-2-(chloromethyl)-5,6-dimethyl-
CAS Number:
88203-19-4
Molecular Formula:
C9H8Cl2N2S
Molecular Weight:
247.1442
MDL Number:
MFCD03970013
IUPAC Name:
4-chloro-2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C9H8Cl2N2S/c1-4-5(2)14-9-7(4)8(11)12-6(3-10)13-9/h3H2,1-2H3
InChI Key:
OHVYKBHIJQAUSD-UHFFFAOYSA-N
SMILES:
ClCc1nc(Cl)c2c(n1)sc(c2C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.137g/mol
Monoisotopic Mass:
245.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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