AG000PU0

119895-68-0 | 1,​3-​Benzodioxole-​4-​carboxaldehyde, 2,​2-​difluoro-

AG000PU0

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CAS Number	119895-68-0
Catalog Number	AG000PU0(AGN-PC-0KK873)
Chemical Name	1,​3-​Benzodioxole-​4-​carboxaldehyde, 2,​2-​difluoro-
EC Number	700-476-6
IUPAC Name	2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
InChI	InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
InChI Key	NIBFJPXGNVPNHK-UHFFFAOYSA-N
MDL Number	MFCD00792419
Molecular Formula	C8H4F2O3
Molecular Weight	186.1124
SMILES	c12c(cccc1C=O)OC(O2)(F)F
Synonyms	119895-68-0, 2,2-Difluoro-4-formylbenzodioxole, 2,2-difluorobenzo[d][1,3]dioxole-4-carbaldehyde, 2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde, 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde, 2,2-difluorobenzodioxole-4-carboxaldehyde, 2,2-difluoro-1,3-benzodioxole-4-carboxaldehyde, 2,2-Difluoro-4-formyl-1,3-benzodioxole, 2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde, 1,3-Benzodioxole-4-carboxaldehyde, 2,2-difluoro-, MFCD00792419, 2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde, 2,2-difluoro-benzo[1,3]dioxole-4-carbaldehyde, 4-formyl, EC 700-476-6, AC1MC6L7, SCHEMBL856114, CTK7H9963, DTXSID90371736, NIBFJPXGNVPNHK-UHFFFAOYSA-N, BCP27930, JRD-0798, KS-00000YY2, ZINC2569258, ANW-43535, BBL100831, SBB090353, STL554625, AKOS005255431, ACN-043284, PB29107, PS-8485, RTR-003310, VZ22030, 2,2-difluoro-1,3-benzodioxol-4-aldehyde, AB0114438, TR-003310, CS-0052189, FT-0609233, Z8139, C-5834, 2,2-difluorobenzo[d]1,3-dioxolene-4-carbaldehyde, 895D680, A804385, 2,2-bis(fluoranyl)-1,3-benzodioxole-4-carbaldehyde, I14-41191, 2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde, 97%, F1911-3814, 2,2-Difluoro-1,3-benzodioxole-4-carbaldehyde, AldrichCPR, C8H4F2O3, ZINC02569258, CID2736970,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.013g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.114g/mol
Monoisotopic Mass	186.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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