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124959-26-8 | Pyrimidine, 4-benzo[b]thien-2-yl-2-chloro-
CAS No: 124959-26-8 Catalog No: AG000MX9 MDL No:
Product Description
Catalog Number:
AG000MX9
Chemical Name:
Pyrimidine, 4-benzo[b]thien-2-yl-2-chloro-
CAS Number:
124959-26-8
Molecular Formula:
C12H7ClN2S
Molecular Weight:
246.7154
IUPAC Name:
4-(1-benzothiophen-2-yl)-2-chloropyrimidine
InChI:
InChI=1S/C12H7ClN2S/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H
InChI Key:
BANCBYXNLZNSCC-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)c1cc2c(s1)cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.712g/mol
Monoisotopic Mass:
246.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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