AG0099EV

1116136-63-0 | 5-Chloro-3-nitro-4-azaindole

AG0099EV

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CAS Number	1116136-63-0
Catalog Number	AG0099EV(AGN-PC-0WCY6J)
Chemical Name	5-Chloro-3-nitro-4-azaindole
IUPAC Name	5-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine
InChI	InChI=1S/C7H4ClN3O2/c8-6-2-1-4-7(10-6)5(3-9-4)11(12)13/h1-3,9H
InChI Key	ZVKDTXRWTRDHMC-UHFFFAOYSA-N
MDL Number	MFCD16876018
Molecular Formula	C7H4ClN3O2
Molecular Weight	197.5786
SMILES	O=[N+](C1=CNC2=CC=C(Cl)N=C21)[O-]
Synonyms	5-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine, 1116136-63-0, 5-Chloro-3-nitro-4-azaindole, AK203518, SCHEMBL3616218, ZVKDTXRWTRDHMC-UHFFFAOYSA-N, MFCD16876018, ZINC95920062, AKOS027253564, FCH1180562, DS-10327, CS-0043164, W-1401,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.999g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.578g/mol
Monoisotopic Mass	196.999g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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