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1000341-96-7 | 1H-Indazole, 4,7-dichloro-3-iodo-
CAS No: 1000341-96-7 Catalog No: AG0000HW MDL No:
Product Description
Catalog Number:
AG0000HW
Chemical Name:
1H-Indazole, 4,7-dichloro-3-iodo-
CAS Number:
1000341-96-7
Molecular Formula:
C7H3Cl2IN2
Molecular Weight:
312.9226
IUPAC Name:
4,7-dichloro-3-iodo-2H-indazole
InChI:
InChI=1S/C7H3Cl2IN2/c8-3-1-2-4(9)6-5(3)7(10)12-11-6/h1-2H,(H,11,12)
InChI Key:
BPRIVWBGIQHFCS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1c(I)n[nH]2)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.872g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.919g/mol
Monoisotopic Mass:
311.872g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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