AG002HLD

18895-10-8 | 3-Thiophenecarbonitrile, 4-bromo-

AG002HLD

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CAS Number	18895-10-8
Catalog Number	AG002HLD(AGN-PC-0JXTVW)
Chemical Name	3-Thiophenecarbonitrile, 4-bromo-
IUPAC Name	4-bromothiophene-3-carbonitrile
InChI	InChI=1S/C5H2BrNS/c6-5-3-8-2-4(5)1-7/h2-3H
InChI Key	RTOSSMAWCKNWFX-UHFFFAOYSA-N
MDL Number	MFCD00847584
Molecular Formula	C5H2BrNS
Molecular Weight	188.0451
SMILES	N#CC1=CSC=C1Br
Synonyms	4-bromothiophene-3-carbonitrile, 18895-10-8, 3-BROMO-4-CYANOTHIOPHENE, 4-BROMO-3-CYANOTHIOPHENE, 3-Thiophenecarbonitrile,4-bromo-, 3-Bromothiophene-4-carbonitrile, 4-bromo-3-thiophenecarbonitrile, 3-Thiophenecarbonitrile, 4-bromo-, MFCD00847584, AC1LIBHR, ACMC-209es0, SCHEMBL1800912, CTK4D9957, DTXSID80358516, RTOSSMAWCKNWFX-UHFFFAOYSA-N, ZINC480609, ANW-23422, AKOS006346477, 4-Bromothiophene-3-carbonitrile, 97%, AB07447, MCULE-7658815041, RP03564, AJ-23103, AS-43038, ZB014137, TR-008756, FT-0710955, Y8095, C-1265, AI-472/32220004, I09-2133, W-206388, C5H2BrNS, CID901375, ZINC00480609,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.909g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.042g/mol
Monoisotopic Mass	186.909g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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