AG00HBAY

1092114-59-4 | 3-Iodo-1H-indole-5-carbonitrile

AG00HBAY

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CAS Number	1092114-59-4
Catalog Number	AG00HBAY(AGN-PC-0H1F3H)
Chemical Name	3-Iodo-1H-indole-5-carbonitrile
IUPAC Name	3-iodo-1H-indole-5-carbonitrile
InChI	InChI=1S/C9H5IN2/c10-8-5-12-9-2-1-6(4-11)3-7(8)9/h1-3,5,12H
InChI Key	LCQFJLARYCQCQR-UHFFFAOYSA-N
MDL Number	MFCD22683211
Molecular Formula	C9H5IN2
Molecular Weight	268.0539
SMILES	N#CC1=CC2=C(NC=C2I)C=C1
Synonyms	3-Iodo-1H-indole-5-carbonitrile, 1092114-59-4, AK155417, 1H-Indole-5-carbonitrile, 3-iodo-, 5-cyano-3-iodoindole, SCHEMBL91369, KS-00000SDE, LCQFJLARYCQCQR-UHFFFAOYSA-N, MFCD22683211, ZINC91302271, AKOS024261039, CS-W021940, DS-3170, FCH2307704, OR45089, BBV-49327136, AJ-130370, AX8278012, ST2405106, AM20120665,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.95g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.057g/mol
Monoisotopic Mass	267.95g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

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