AG00DLBO

435278-06-1 | 1-Chloro-4-fluoroisoquinoline

AG00DLBO

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CAS Number	435278-06-1
Catalog Number	AG00DLBO(AGN-PC-0WD3F4)
Chemical Name	1-Chloro-4-fluoroisoquinoline
IUPAC Name	1-chloro-4-fluoroisoquinoline
InChI	InChI=1S/C9H5ClFN/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H
InChI Key	BKYLDYWBJSOIMD-UHFFFAOYSA-N
MDL Number	MFCD27922898
Molecular Formula	C9H5ClFN
Molecular Weight	181.5941
SMILES	FC1=CN=C(Cl)C2=C1C=CC=C2
Synonyms	1-Chloro-4-fluoroisoquinoline, 435278-06-1, SCHEMBL3141268, DTXSID50591337, Isoquinoline,1-chloro-4-fluoro-, Isoquinoline, 1-chloro-4-fluoro-, MFCD27922898, ZINC95830405, FCH2496415, AK138772, AS-39992, AJ-134547, AX8260375,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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