AG00EICS

58142-97-5 | 1-Chloro-5-nitro-isoquinoline

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CAS Number	58142-97-5
Catalog Number	AG00EICS(AGN-PC-0JRHJQ)
Chemical Name	1-Chloro-5-nitro-isoquinoline
IUPAC Name	1-chloro-5-nitroisoquinoline
InChI	InChI=1S/C9H5ClN2O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H
InChI Key	ABMIIJPKPFSMLK-UHFFFAOYSA-N
MDL Number	MFCD11052590
Molecular Formula	C9H5ClN2O2
Molecular Weight	208.6012
SMILES	ClC1=NC=CC2=C(C=CC=C12)[N+](=O)[O-]
Synonyms	1-Chloro-5-nitroisoquinoline, 58142-97-5, 1-chloro-5-nitro-isoquinoline, Isoquinoline, 1-chloro-5-nitro-, AC1LA16X, SCHEMBL2379102, CTK5A7911, DTXSID30332700, ABMIIJPKPFSMLK-UHFFFAOYSA-N, KS-000024KR, ZINC6567593, ANW-52147, CL1004, MFCD11848605, AKOS005257902, CM10597, DS-0589, QC-9422, RP26458, AC-23253, AJ-56377, AK-27241, BR-27241, SC-35269, AB0025644, DB-072434, TR-037161, 4CH-008052, FT-0647198, W7135, S-6166, J-504522, C9H5ClN2O2, AIDS020741, CID459774,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.004g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.601g/mol
Monoisotopic Mass	208.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number