AG0037J3

224434-83-7 | 6-Bromo-1H-indole-3-carbonitrile

AG0037J3

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CAS Number	224434-83-7
Catalog Number	AG0037J3(AGN-PC-009QYQ)
Chemical Name	6-Bromo-1H-indole-3-carbonitrile
IUPAC Name	6-bromo-1H-indole-3-carbonitrile
InChI	InChI=1S/C9H5BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H
InChI Key	PUBXTAVHPDZLBK-UHFFFAOYSA-N
MDL Number	MFCD10700148
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	BrC1=CC=C2C(=CNC2=C1)C#N
Synonyms	6-bromo-1H-indole-3-carbonitrile, 224434-83-7, 6-BROMO-3-CYANOINDOLE, 6-BROMO-3-CYANO-1H-INDOLE, AK-64965, 1H-Indole-3-carbonitrile, 6-bromo-, 6-Bromoindole-3-carbonitrile, SCHEMBL578797, CTK4E9514, DTXSID50466910, PUBXTAVHPDZLBK-UHFFFAOYSA-N, ACT07070, BCP10412, 1H-Indole-3-carbonitrile,6-bromo-, 6-bromo-1-H-indole-3-carbonitrile, 1340AB, ANW-54544, ZINC30677707, AKOS016001325, CB-2198, FCH1401162, QC-9499, ACM224434837, AJ-83888, BBV-40277269, DS-15692, SC-62953, AB0073906, AX8216701, DB-003555, RT-010568, 4CH-003054, FT-0687190, ST24045134, C-2184, A1-09422, J-014722, C9H5BrN2, ACN-028365, CID11470067,

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	3

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