AG000OSP

1258298-05-3 | Benzoic acid, 2,6-dichloro-4-cyano-

AG000OSP

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CAS Number	1258298-05-3
Catalog Number	AG000OSP(AGN-PC-0WAJQJ)
Chemical Name	Benzoic acid, 2,6-dichloro-4-cyano-
IUPAC Name	2,6-dichloro-4-cyanobenzoic acid
InChI	InChI=1S/C8H3Cl2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key	RABGVNSIHQKYAS-UHFFFAOYSA-N
MDL Number	MFCD17926545
Molecular Formula	C8H3Cl2NO2
Molecular Weight	216.0209
SMILES	O=C(O)C1=C(Cl)C=C(C#N)C=C1Cl
Synonyms	2,6-DICHLORO-4-CYANOBENZOIC ACID, 1258298-05-3, 2,6-dichloro-4-cyanobenzoicacid, AK-61807, SCHEMBL1706740, RABGVNSIHQKYAS-UHFFFAOYSA-N, KS-00000P5A, ZX-AT017719, 2,6-Dichloro-4-cyano-benzoic acid, BBL103135, MFCD17926545, STL556945, ZINC77027067, AKOS022181487, Benzoic acid, 2,6-dichloro-4-cyano-, FCH1362309, MCULE-9694914339, NE54185, PB12903, BBV-40238416, DA-17699, DS-14880, OR302095, AJ-122382, CS-0052134, FT-0708014, ST24038822, EN300-117197, Z1695907445, ACN-027169, 2,6-Dichloro-4-cyanobenzoic acid, 95% - 1G 1g, 409127-32-8,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.017g/mol
Monoisotopic Mass	214.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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