AG00AMFB

194490-14-7 | 5-CHLORO-3-CYANOINDOLE

AG00AMFB

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CAS Number	194490-14-7
Catalog Number	AG00AMFB(AGN-PC-0NP8PT)
Chemical Name	5-CHLORO-3-CYANOINDOLE
IUPAC Name	5-chloro-1H-indole-3-carbonitrile
InChI	InChI=1S/C9H5ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H
InChI Key	KQMMMHWMPSFPSP-UHFFFAOYSA-N
MDL Number	MFCD07776618
Molecular Formula	C9H5ClN2
Molecular Weight	176.6024
SMILES	N#CC1=CNC2=C1C=C(Cl)C=C2
Synonyms	5-chloro-1H-indole-3-carbonitrile, 194490-14-7, 5-Chloro-3-cyanoindole, CTK4E1536, DTXSID70652994, KS-00000F4A, 1H-Indole-3-carbonitrile,5-chloro-, ANW-45706, MFCD07776618, ZINC26895388, 1H-Indole-3-carbonitrile, 5-chloro-, AKOS006287766, RP23819, AJ-82953, AK-40381, BR-40381, DS-13552, SC-36760, AB0023150, TC-072016, 4CH-006614, FT-0761750, ST24032973, W4151, C50018, S-5182, I10-0780, J-517250, C9H5ClN2, ACN-038729, 5-CHLORO -1H-INDOLE-3-CARBONITRILE 5-CHLORO-3-CYANOINDOLE,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.014g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.603g/mol
Monoisotopic Mass	176.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number