AG0016TR

1221435-18-2 | 1H-Pyrrole-2-carbonitrile, 4-bromo-

AG0016TR

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CAS Number	1221435-18-2
Catalog Number	AG0016TR(AGN-PC-0BGI4X)
Chemical Name	1H-Pyrrole-2-carbonitrile, 4-bromo-
IUPAC Name	4-bromo-1H-pyrrole-2-carbonitrile
InChI	InChI=1S/C5H3BrN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChI Key	MDGARDUARHMMAR-UHFFFAOYSA-N
MDL Number	MFCD20502410
Molecular Formula	C5H3BrN2
Molecular Weight	170.9947
SMILES	BrC1=CNC(=C1)C#N
Synonyms	4-Bromo-1H-pyrrole-2-carbonitrile, 1221435-18-2, 1H-Pyrrole-2-carbonitrile, 4-bromo-, SCHEMBL17410444, DTXSID60718316, ZX-CM010278, 4214AA, MFCD20502410, STL411852, ZINC71372416, AKOS015832892, FCH1270563, MCULE-4279289310, AX8228444, CS-0063849, 4-Bromo-1H-pyrrole-2-carbonitrile, AldrichCPR, Y-8183, C5H3BrN2,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.948g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.997g/mol
Monoisotopic Mass	169.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

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