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1246349-97-2 | 1H-Pyrazolo[4,3-c]pyridine, 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]-
CAS No: 1246349-97-2 Catalog No: AG000MHS MDL No:MFCD19689569
Product Description
Catalog Number:
AG000MHS
Chemical Name:
1H-Pyrazolo[4,3-c]pyridine, 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]-
CAS Number:
1246349-97-2
Molecular Formula:
C14H11ClIN3O
Molecular Weight:
399.6141
MDL Number:
MFCD19689569
IUPAC Name:
4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine
InChI:
InChI=1S/C14H11ClIN3O/c1-20-10-4-2-9(3-5-10)8-19-11-6-7-17-13(15)12(11)14(16)18-19/h2-7H,8H2,1H3
InChI Key:
LTPHGFLBWHINDY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nc(c2c1ccnc2Cl)I
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.964g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.616g/mol
Monoisotopic Mass:
398.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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