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1227271-02-4 | 1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-
CAS No: 1227271-02-4 Catalog No: AG000J7L MDL No:
Product Description
Catalog Number:
AG000J7L
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-
CAS Number:
1227271-02-4
Molecular Formula:
C8H4ClIN2O2
Molecular Weight:
322.4870
IUPAC Name:
5-chloro-3-iodo-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C8H4ClIN2O2/c9-5-1-4-6(11-12-7(4)10)2-3(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
OBODVSLNPOSKHD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]nc(c2cc1Cl)I
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.901g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.486g/mol
Monoisotopic Mass:
321.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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