AG0022NF

181073-82-5 | Benzoic acid, 4-cyano-2,6-difluoro-

AG0022NF

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CAS Number	181073-82-5
Catalog Number	AG0022NF(AGN-PC-078T7K)
Chemical Name	Benzoic acid, 4-cyano-2,6-difluoro-
IUPAC Name	4-cyano-2,6-difluorobenzoic acid
InChI	InChI=1S/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key	QJDLXGDIYHMIDN-UHFFFAOYSA-N
MDL Number	MFCD09835199
Molecular Formula	C8H3F2NO2
Molecular Weight	183.1117
SMILES	O=C(O)C1=C(F)C=C(C#N)C=C1F
Synonyms	4-Cyano-2,6-difluorobenzoic acid, 181073-82-5, 4-Cyano-2,6-difluoro-benzoic acid, Benzoic acid, 4-cyano-2,6-difluoro-, PubChem4607, 4-CYANO-2,6-DIFLUOROBENZOICACID, SCHEMBL615631, CTK4D7802, DTXSID10659326, QJDLXGDIYHMIDN-UHFFFAOYSA-N, ACT11970, BCP06747, ANW-61717, MFCD09835199, ZINC34781180, Benzoic acid,4-cyano-2,6-difluoro-, AKOS006327695, AC-3942, AS01840, CC-1149, MCULE-3028252910, MP-0779, QC-9004, RP24381, AJ-90148, AK-33800, AN-12495, DS-12542, EN001105, SC-01900, 4-Cyano-2,6-difluorobenzoic acid, 98%, AB0047996, DB-065349, ST2418318, TC-150462, 4CH-015917, FT-0657443, Z4315, A19974, I01-4662, Z1407007418, C8H3F2NO2,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.013g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.114g/mol
Monoisotopic Mass	183.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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