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88469-76-5 | Thiazolo[4,5-d]pyridazine, 7-chloro-2-phenyl-
CAS No: 88469-76-5 Catalog No: AG0049SA MDL No:
Product Description
Catalog Number:
AG0049SA
Chemical Name:
Thiazolo[4,5-d]pyridazine, 7-chloro-2-phenyl-
CAS Number:
88469-76-5
Molecular Formula:
C11H6ClN3S
Molecular Weight:
247.7034
IUPAC Name:
7-chloro-2-phenyl-[1,3]thiazolo[4,5-d]pyridazine
InChI:
InChI=1S/C11H6ClN3S/c12-10-9-8(6-13-15-10)14-11(16-9)7-4-2-1-3-5-7/h1-6H
InChI Key:
DQHUHAOPBNQCPV-UHFFFAOYSA-N
SMILES:
Clc1nncc2c1sc(n2)c1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.7g/mol
Monoisotopic Mass:
246.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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