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1823960-81-1 | 4-Thiazolecarboxylic acid, 2-chloro-5-iodo-
CAS No: 1823960-81-1 Catalog No: AG0023T9 MDL No:
Product Description
Catalog Number:
AG0023T9
Chemical Name:
4-Thiazolecarboxylic acid, 2-chloro-5-iodo-
CAS Number:
1823960-81-1
Molecular Formula:
C4HClINO2S
Molecular Weight:
289.4787
IUPAC Name:
2-chloro-5-iodo-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4HClINO2S/c5-4-7-1(3(8)9)2(6)10-4/h(H,8,9)
InChI Key:
XTXPIFCFHHLQTJ-UHFFFAOYSA-N
SMILES:
Clc1sc(c(n1)C(=O)O)I
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.846g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.471g/mol
Monoisotopic Mass:
288.846g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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