AG005ZPK

955978-74-2 | 4-Bromo-1H-indole-2-carbonitrile

AG005ZPK

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CAS Number	955978-74-2
Catalog Number	AG005ZPK(AGN-PC-0CSOZA)
Chemical Name	4-Bromo-1H-indole-2-carbonitrile
IUPAC Name	4-bromo-1H-indole-2-carbonitrile
InChI	InChI=1S/C9H5BrN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,12H
InChI Key	XFDNTTNQXSIPDZ-UHFFFAOYSA-N
MDL Number	MFCD13193376
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	N#CC(N1)=CC2=C1C=CC=C2Br
Synonyms	4-Bromo-1H-indole-2-carbonitrile, 955978-74-2, AK-30913, 1H-Indole-2-carbonitrile, 4-bromo-, SCHEMBL993313, CTK8B6623, KS-00000PSL, DTXSID10731116, XFDNTTNQXSIPDZ-UHFFFAOYSA-N, 6478AC, ANW-53783, MFCD13193376, ZINC81991251, FCH1381928, DS-11503, AJ-124105, AX8226889, ST2411143, TC-142528, 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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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