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885519-31-3 | 1H-Indazole-3-carboxylicacid, 6-amino-4-chloro-
CAS No: 885519-31-3 Catalog No: AG004F4L MDL No:
Product Description
Catalog Number:
AG004F4L
Chemical Name:
1H-Indazole-3-carboxylicacid, 6-amino-4-chloro-
CAS Number:
885519-31-3
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
IUPAC Name:
6-amino-4-chloro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H6ClN3O2/c9-4-1-3(10)2-5-6(4)7(8(13)14)12-11-5/h1-2H,10H2,(H,11,12)(H,13,14)
InChI Key:
DKZAEXCINRTQSD-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)c2c(c1)[nH]nc2C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.605g/mol
Monoisotopic Mass:
211.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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