AG00DGBS

55270-33-2 | 4-iodoisoquinoline

AG00DGBS

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CAS Number	55270-33-2
Catalog Number	AG00DGBS(AGN-PC-0JU7K6)
Chemical Name	4-iodoisoquinoline
IUPAC Name	4-iodoisoquinoline
InChI	InChI=1S/C9H6IN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChI Key	LRPCCFSUFGFVBO-UHFFFAOYSA-N
MDL Number	MFCD00234496
Molecular Formula	C9H6IN
Molecular Weight	255.0551
SMILES	IC1=CN=CC2=CC=CC=C12
Synonyms	4-iodoisoquinoline, 55270-33-2, isoquinoline, 4-iodo-, 57611-53-7, Isoquinoline,4-iodo-, AC1LD1W5, SCHEMBL6109844, CTK1G7611, KS-00000HML, DTXSID00348838, ZINC331155, ALBB-032077, BCP20025, ANW-51075, MFCD00234496, SBB101536, AKOS015853744, CS-W005366, QC-9425, RTR-019490, AJ-19409, AK-24960, AS-18415, BR-24960, AB0025460, DB-071967, ST2411484, TR-019490, 4CH-008399, FT-0649996, W6928, S-6234, AC-907/25004877, J-515582, InChI=1/C9H6IN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6, 4-Iodoquinoline, C9H6IN, CID640975, ZINC00331155,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.954g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.058g/mol
Monoisotopic Mass	254.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number