AG003J1M

1186663-64-8 | 3-Bromo-1H-indole-4-carbonitrile

AG003J1M

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CAS Number	1186663-64-8
Catalog Number	AG003J1M(AGN-PC-09SGCJ)
Chemical Name	3-Bromo-1H-indole-4-carbonitrile
IUPAC Name	3-bromo-1H-indole-4-carbonitrile
InChI	InChI=1S/C9H5BrN2/c10-7-5-12-8-3-1-2-6(4-11)9(7)8/h1-3,5,12H
InChI Key	FFSJNHMOWYMQJQ-UHFFFAOYSA-N
MDL Number	MFCD12828700
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	N#CC1=CC=CC2=C1C(Br)=CN2
Synonyms	3-BROMO-4-CYANOINDOLE, 1186663-64-8, 3-BROMO-1H-INDOLE-4-CARBONITRILE, AK173261, ACMC-2099xy, SCHEMBL3778298, CTK8A9384, KS-00000EEW, DTXSID10693846, FFSJNHMOWYMQJQ-UHFFFAOYSA-N, ANW-17156, MFCD12828700, ZINC42684391, AKOS015898451, DS-8239, FCH1377227, TRA0065278, BBV-40253334, SY006254, AB0061436, AB1000730, DB-014639, TC-105901, CS-0042036, FT-0766136, Z7938, Z-3978, MFCD12828700 (97+%), I10-0840, null, C9H5BrN2,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.964g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.057g/mol
Monoisotopic Mass	219.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number