AG0069FV

98191-30-1 | 3,5-Dichloro-4-fluorobenzoic acid

AG0069FV

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CAS Number	98191-30-1
Catalog Number	AG0069FV(AGN-PC-02TBVV)
Chemical Name	3,5-Dichloro-4-fluorobenzoic acid
IUPAC Name	3,5-dichloro-4-fluorobenzoic acid
InChI	InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChI Key	CRRHVMZOOBWYRG-UHFFFAOYSA-N
MDL Number	MFCD03840463
Molecular Formula	C7H3Cl2FO2
Molecular Weight	209.0019
SMILES	OC(=O)C1=CC(Cl)=C(F)C(Cl)=C1
Synonyms	3,5-Dichloro-4-fluorobenzoic acid, 98191-30-1, 3,5-Dichloro-4-fluoro-benzoic acid, Benzoic acid, 3,5-dichloro-4-fluoro-, PubChem1378, SCHEMBL667661, CTK5H9757, DTXSID40601570, CRRHVMZOOBWYRG-UHFFFAOYSA-N, ACT11994, ANW-57817, CK1065, KM3465, MFCD03840463, SBB064518, ZINC16158589, AKOS015890020, AC-3946, AM84173, AS00150, CD-1212, CM12649, RP26473, KS-000011P5, AJ-68548, AN-12499, BC676164, PS-10145, SC-44854, AB0031307, DB-004605, TC-146562, 4CH-021367, FT-0083077, FT-0651289, ST24041210, X4332, TL800742029, A19990, I01-5020, J-511286, C7H3Cl2FO2,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.997g/mol
Monoisotopic Mass	207.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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