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125292-34-4 | 2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-1H-imidazol-2-yl-
CAS No: 125292-34-4 Catalog No: AG000NG6 MDL No:
Product Description
Catalog Number:
AG000NG6
Chemical Name:
2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-1H-imidazol-2-yl-
CAS Number:
125292-34-4
Molecular Formula:
C9H6ClN5S
Molecular Weight:
251.6954
IUPAC Name:
5-chloro-N-(1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
InChI:
InChI=1S/C9H6ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-4H,(H2,11,12,13)
InChI Key:
SIXOTSDVJFHVJP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1Nc1ncc[nH]1)nsn2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.692g/mol
Monoisotopic Mass:
251.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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