AG005BKE

773873-95-3 | Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate

AG005BKE

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CAS Number	773873-95-3
Catalog Number	AG005BKE(AGN-PC-0CR8UT)
Chemical Name	Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
EC Number	616-458-5
IUPAC Name	methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate
InChI	InChI=1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
InChI Key	MYEOSTSAKCEVAS-UHFFFAOYSA-N
MDL Number	MFCD06203771
Molecular Formula	C9H6F2O4
Molecular Weight	216.1383
SMILES	COC(=O)C1=CC2=C(OC(F)(F)O2)C=C1
Synonyms	Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate, 773873-95-3, methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate, AK-53869, 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID METHYL ESTER, 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, methyl ester, C9H6F2O4, SCHEMBL1012928, CTK8B7009, KS-00000OVS, DTXSID90731053, MYEOSTSAKCEVAS-UHFFFAOYSA-N, ZX-AP010412, 2112AC, ANW-55899, MFCD06203771, ZINC44199577, AKOS016001137, AF10224, CM10014, PC19687, QC-4881, RL04965, DS-14294, AB0070655, AJ-109567, AX8215235, TC-144644, CS-0008474, FT-0686162, ST24025143, S-8171, 2,2-DIFLUOROPIPERONYLIC ACID METHYL ESTER, J-521882, Methyl 2,2-difluorobenzo[d][1,3]dioxol-5carboxylate, Methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate, 2,2-difluoro-benzo [1,3] dioxole-5-carboxylic acid methyl ester, 2,2-difluoro-benzo [1,3]dioxole-5-carboxylic acid methyl ester, 2,2-difluoro-benzo[1,3] dioxole-5-carboxylic acid methyl ester, 2,2-difluoro-benzo[1,3]-dioxole-5-carboxylic acid methyl ester, Methyl2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate, Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate, 98% 5g,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.023g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.14g/mol
Monoisotopic Mass	216.023g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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