AG000MHS

1246349-97-2 | 1H-Pyrazolo[4,3-c]pyridine, 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]-

AG000MHS

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CAS Number	1246349-97-2
Catalog Number	AG000MHS(AGN-PC-0BL84E)
Chemical Name	1H-Pyrazolo[4,3-c]pyridine, 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]-
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
MDL Number	MFCD19689569
Molecular Formula	C14H11ClIN3O
Molecular Weight	399.6141
SMILES	COC1=CC=C(C=C1)CN2C3=C(C(=NC=C3)Cl)C(=N2)I
Synonyms	4-Chloro-3-iodo-1-(4-methoxybenzyl)-1H-pyrazolo[4,3-c]pyridine, 1246349-97-2, 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-c]pyridine, AK-46753, LTPHGFLBWHINDY-UHFFFAOYSA-N, C14H11ClIN3O, SCHEMBL883677, CTK8B5789, KS-00000OMZ, DTXSID60719227, ANW-50116, MFCD19689569, ZINC72187451, AKOS015920043, AS06462, BF-0054, CM10824, BR-46753, AB0035298, AJ-119070, AX8211754, TC-138861, 4CH-010321, FT-0758235, ST24029014, X9603, S-4476, 1-(4-methoxybenzyl)-4-chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine, 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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