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1000341-86-5 | 1H-Indazole, 4,7-dichloro-
CAS No: 1000341-86-5 Catalog No: AG0000I6 MDL No:
Product Description
Catalog Number:
AG0000I6
Chemical Name:
1H-Indazole, 4,7-dichloro-
CAS Number:
1000341-86-5
Molecular Formula:
C7H4Cl2N2
Molecular Weight:
187.0261
IUPAC Name:
4,7-dichloro-1H-indazole
InChI:
InChI=1S/C7H4Cl2N2/c8-5-1-2-6(9)7-4(5)3-10-11-7/h1-3H,(H,10,11)
InChI Key:
IFJOZYZKADKDQB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1[nH]nc2)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.023g/mol
Monoisotopic Mass:
185.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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