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1000342-00-6 | 1H-Indazole, 4-chloro-3-iodo-7-methoxy-
CAS No: 1000342-00-6 Catalog No: AG0000HS MDL No:
Product Description
Catalog Number:
AG0000HS
Chemical Name:
1H-Indazole, 4-chloro-3-iodo-7-methoxy-
CAS Number:
1000342-00-6
Molecular Formula:
C8H6ClIN2O
Molecular Weight:
308.5035
IUPAC Name:
4-chloro-3-iodo-7-methoxy-2H-indazole
InChI:
InChI=1S/C8H6ClIN2O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H,11,12)
InChI Key:
QTBJWNKEPXUZNF-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]nc2I)Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.921g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.503g/mol
Monoisotopic Mass:
307.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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