AG00179L

122454-29-9 | 1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-

AG00179L

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CAS Number	122454-29-9
Catalog Number	AG00179L(AGN-PC-0PG94Z)
Chemical Name	1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-
IUPAC Name	4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
InChI	InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H
InChI Key	XNFIRYXKTXAHAC-UHFFFAOYSA-N
MDL Number	MFCD13184274
Molecular Formula	C12H5BrClF3N2
Molecular Weight	349.5337
SMILES	N#Cc1c([nH]c(c1Br)C(F)(F)F)c1ccc(cc1)Cl
UNII	MEC6MCY7QB
Synonyms	4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, tralopyril, Tralopyril, 122454-29-9, 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, UNII-MEC6MCY7QB, MEC6MCY7QB, 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile,4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-, Tralopyril [ISO], Econea, ACMC-20mq23, 1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-, DSSTox_CID_21503, DSSTox_GSID_41503, SCHEMBL116957, AC1L4D58, CHEMBL2253356, DTXSID6041503, CTK4B3120, XNFIRYXKTXAHAC-UHFFFAOYSA-N, EBD46741, ZINC6093348, Tox21_303769, AKOS015907736, NCGC00357062-01, AN-32817, DB-062060, CAS-122454-29-9, FT-0653194, Tralopyril, PESTANAL(R), analytical standard, 454B299, A804895, I14-2673, 4-bromo-2- (p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-5-(tri-fluoromethyl)pyrrole-3-carbonitrile, 4-bromo-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile, 4-bromanyl-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1HH30-pyrrole-3-carbonitrile, 6,11-Eicosadienoic acid, C12-H5-Br-Cl-F3-N2, CID183559,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	347.928g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	349.535g/mol
Monoisotopic Mass	347.928g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H410
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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