AG006FP5

903131-13-5 | 4-Bromo-1H-indole-3-carbonitrile

AG006FP5

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CAS Number	903131-13-5
Catalog Number	AG006FP5(AGN-PC-0KKPDQ)
Chemical Name	4-Bromo-1H-indole-3-carbonitrile
IUPAC Name	4-bromo-1H-indole-3-carbonitrile
InChI	InChI=1S/C9H5BrN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H
InChI Key	PMIGAISGWPTELT-UHFFFAOYSA-N
MDL Number	MFCD07787361
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	N#CC1=CNC2=C1C(Br)=CC=C2
Synonyms	4-Bromo-3-cyanoindole, 4-bromo-1H-indole-3-carbonitrile, 903131-13-5, 1H-Indole-3-carbonitrile,4-bromo-, 1H-Indole-3-carbonitrile, 4-bromo-, AC1MC7ZQ, SCHEMBL2302684, CTK5G7641, DTXSID90376827, PMIGAISGWPTELT-UHFFFAOYSA-N, BCP10984, ZINC4198782, MFCD07787361, AKOS022977879, CB-2270, FCH1386077, QC-9496, AJ-48264, AK158270, AS-39208, BBV-40262184, SC-61939, AX8292133, DB-028389, RT-009505, 4CH-003055, FT-0699184, C-1834, A1-09438, ZINC04198782, ACN-028366, CID2763232, B2201, N/A,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number