AG00I4FE

224161-37-9 | Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-

AG00I4FE

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CAS Number	224161-37-9
Catalog Number	AG00I4FE(AGN-PC-0NKR9S)
Chemical Name	Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-
IUPAC Name	6-fluoro-1,2,3,4-tetrahydroisoquinoline
InChI	InChI=1S/C9H10FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChI Key	IGFFEMNFESMQQW-UHFFFAOYSA-N
MDL Number	MFCD06739157
Molecular Formula	C9H10FN
Molecular Weight	151.1808
SMILES	FC1=CC2=C(CNCC2)C=C1
Synonyms	6-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE, 224161-37-9, 6-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE, ISOQUINOLINE, 6-FLUORO-1,2,3,4-TETRAHYDRO-, 6-Fluoro-1,2,3,4-tetrahydroisoquinoline., SCHEMBL330372, DTXSID50577338, IGFFEMNFESMQQW-UHFFFAOYSA-N, ACT10840, 1328AB, ANW-75164, MFCD06739157, ZINC34726816, AKOS006222517, AB28734, CF-1124, AJ-90002, AN-29459, BS-13546, AB0076348, DB-032365, RT-010643, 6-fluoranyl-1,2,3,4-tetrahydroisoquinoline, AM20030383, FT-0693438, J3.559.283K, X-1319, 161F379, A816186, J-014701, S14-2518, C9H10FN, ACN-043924,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.08g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.184g/mol
Monoisotopic Mass	151.08g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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