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944899-22-3

944899-22-3 | 7-(Benzyloxy)-3-iodo-1H-indazole

CAS No: 944899-22-3 Catalog No: AG0036OL MDL No:MFCD10696831

Product Description

Catalog Number:
AG0036OL
Chemical Name:
7-(Benzyloxy)-3-iodo-1H-indazole
CAS Number:
944899-22-3
Molecular Formula:
C14H11IN2O
Molecular Weight:
350.1544
MDL Number:
MFCD10696831
IUPAC Name:
3-iodo-7-phenylmethoxy-2H-indazole
InChI:
InChI=1S/C14H11IN2O/c15-14-11-7-4-8-12(13(11)16-17-14)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChI Key:
VQZURTFNQVMZSJ-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1cccc2OCc1ccccc1

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.992g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.159g/mol
Monoisotopic Mass:
349.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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