AG00FAS1

72769-08-5 | 5-Chloro-2,2-difluoro-1,3-benzodioxole

AG00FAS1

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CAS Number	72769-08-5
Catalog Number	AG00FAS1(AGN-PC-0NE68D)
Chemical Name	5-Chloro-2,2-difluoro-1,3-benzodioxole
IUPAC Name	5-chloro-2,2-difluoro-1,3-benzodioxole
InChI	InChI=1S/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
InChI Key	CVICEEPAFUYBJG-UHFFFAOYSA-N
MDL Number	MFCD04972706
Molecular Formula	C7H3ClF2O2
Molecular Weight	192.5473
SMILES	c12c(ccc(c1)Cl)OC(O2)(F)F
Synonyms	5-chloro-2,2-difluoro-1,3-benzodioxole, 72769-08-5, 5-Chloro-2,2-difluorobenzo[d][1,3]dioxole, 4'-chloro-2,2-difluorobenzodioxole, 5-chloro-2,2-difluoro-benzo[1,3]dioxole, 4 -Chloro-2,2-difluorobenzodioxole, 5-chloro-2,2-difluorobenzo[d]1,3-dioxolane, 5-chloro, PubChem20112, SCHEMBL3861110, CTK5D6785, DTXSID00451250, ZINC2540166, ZX-AP005356, 1293AC, FCH922652, MFCD04972706, PC2591, SBB054615, AKOS006346544, MCULE-8129253256, AJ-39011, AN-37448, SY041904, 1,3-Benzodioxole,5-chloro-2,2-difluoro-, AX8103298, FT-0695227, ST50949829, MFCD04972706 (95%), 5-chloranyl-2,2-bis(fluoranyl)-1,3-benzodioxole, 769C085, A837613, C7H3ClF2O2, ACN-055745, CID10997868,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.546g/mol
Monoisotopic Mass	191.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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