AG00EAG4

656-46-2 | 2,2-Difluorobenzodioxole-5-carboxylic acid

AG00EAG4

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CAS Number	656-46-2
Catalog Number	AG00EAG4(AGN-PC-0JTQ3S)
Chemical Name	2,2-Difluorobenzodioxole-5-carboxylic acid
IUPAC Name	2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
InChI	InChI=1S/C8H4F2O4/c9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8/h1-3H,(H,11,12)
InChI Key	VJLDRFCNFNQTTH-UHFFFAOYSA-N
MDL Number	MFCD00792417
Molecular Formula	C8H4F2O4
Molecular Weight	202.1118
SMILES	OC(=O)C1=CC2=C(OC(F)(F)O2)C=C1
Synonyms	656-46-2, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 2,2-Difluorobenzo[d][1,3]dioxole-5-carboxylic acid, 2,2-DIFLUORO-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, 2,2-Difluorobenzodioxole-5-carboxylic acid, VJLDRFCNFNQTTH-UHFFFAOYSA-N, MFCD00792417, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 97%, 3,4-[Difluoromethylenedioxy]benzoic acid, ACMC-209nrl, AC1LCY6V, SCHEMBL351400, CTK2F8267, DTXSID00346016, KS-000003NT, ZINC2569256, ANW-35071, SBB053354, AKOS005762881, CS-W015523, PB10171, PS-6613, AJ-41691, AK-81979, SC-54404, 5-Carboxy-2,2-difluoro-1,3-benzodioxole, DB-054830, TC-123816, FT-0609230, ST50407380, V7150, A-2847, 2,2-difluorobenzo-1,3dioxole-5-carboxylic acid, 2,2-difluorobenzo[1,3]dioxol-5-carboxylic acid, 2,2-difluoro-benzo[1,3]dioxol-5-carboxylic acid, 2,2-difluorobenzo-1,3-dioxole-5-carboxylic acid, 2,2-difluorobenzo[1,3]dioxole-5-carboxylic acid, 656D462, 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, 1,3-Benzodioxole-5-carboxylicacid, 2,2-difluoro-, 2, 2-difluorobenzo-1, 3-dioxole-5-carboxylic acid, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid #, 2,2-difluorobenzo[d]1,3-dioxolane-5-carboxylic acid, 2,2-difluorobenzo[d]1,3-dioxolene-5-carboxylic acid, Z1741959032, 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, AldrichCPR, C8H4F2O4, CID608772, 2,2-Difluorobenzodioxole-5-carboxylicacid, 2,2-Difluorobenzo[d][1,3]dioxole-5-carboxylicacid, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 97% 1g,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.008g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.113g/mol
Monoisotopic Mass	202.008g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

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