AG00HAAF

1041423-28-2 | 3-Chloro-6-fluoroisoquinoline

AG00HAAF

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CAS Number	1041423-28-2
Catalog Number	AG00HAAF(AGN-PC-0WAMEQ)
Chemical Name	3-Chloro-6-fluoroisoquinoline
IUPAC Name	3-chloro-6-fluoroisoquinoline
InChI	InChI=1S/C9H5ClFN/c10-9-4-7-3-8(11)2-1-6(7)5-12-9/h1-5H
InChI Key	DCIQKTBCWODWMH-UHFFFAOYSA-N
MDL Number	MFCD18837816
Molecular Formula	C9H5ClFN
Molecular Weight	181.5941
SMILES	FC1=CC2=C(C=NC(Cl)=C2)C=C1
Synonyms	3-chloro-6-fluoroisoquinoline, 1041423-28-2, SCHEMBL8159874, 3-Chloro-6-fluoro-isoquinoline, Isoquinoline, 3-chloro-6-fluoro-, MFCD18837816, AKOS027321087, ZINC166730461, SB12840, AK310526, DS-11644,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.594g/mol
Monoisotopic Mass	181.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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