AG000PJA

1197181-29-5 | 1H-Indole, 5-chloro-7-nitro-

AG000PJA

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CAS Number	1197181-29-5
Catalog Number	AG000PJA(AGN-PC-0WAKRM)
Chemical Name	1H-Indole, 5-chloro-7-nitro-
IUPAC Name	5-chloro-7-nitro-1H-indole
InChI	InChI=1S/C8H5ClN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H
InChI Key	FNZMFDOFIZJRNY-UHFFFAOYSA-N
MDL Number	MFCD20923231
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
SMILES	O=[N+](C1=CC(Cl)=CC2=C1NC=C2)[O-]
Synonyms	5-Chloro-7-nitro-1H-indole, 1197181-29-5, 5-Chloro-7-nitroindole, AK175242, 5-chloro-7-nitro-1H indole, 1H-Indole, 5-chloro-7-nitro-, KS-000005WE, MFCD20923231, ZINC96321002, AKOS025405114, DS-8981, FCH1606605, SB15301, CS-0042994, FT-0754394,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.59g/mol
Monoisotopic Mass	196.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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