AG00I9HM

531508-54-0 | 1,3-Benzodioxole, 2,2-difluoro-4-iodo-

AG00I9HM

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CAS Number	531508-54-0
Catalog Number	AG00I9HM(AGN-PC-0NEYE3)
Chemical Name	1,3-Benzodioxole, 2,2-difluoro-4-iodo-
IUPAC Name	2,2-difluoro-4-iodo-1,3-benzodioxole
InChI	InChI=1S/C7H3F2IO2/c8-7(9)11-5-3-1-2-4(10)6(5)12-7/h1-3H
InChI Key	JICIGSFWYAPNSD-UHFFFAOYSA-N
MDL Number	MFCD17016040
Molecular Formula	C7H3F2IO2
Molecular Weight	283.9988
SMILES	c12c(cccc1I)OC(O2)(F)F
Synonyms	531508-54-0, 2,2-Difluoro-4-iodobenzo[d][1,3]dioxole, 4-IODO-2,2-DIFLUORO-1,3-BENZODIOXOLE, 2,2-DIFLUORO-4-IODO-2H-1,3-BENZODIOXOLE, AK173845, 2,2-DIFLUORO-4-IODO-1,3-BENZODIOXOLE, SCHEMBL13551133, KS-000003NO, MFCD17016040, ZINC95707679, AKOS024263228, DS-8530, FCH1351999, PB21444, PC501617, 1,3-Benzodioxole, 2,2-difluoro-4-iodo-, Q-1180, CID11044275, 2,2-difluoro-4-iodo-benzo[1,3]dioxole,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.915g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284g/mol
Monoisotopic Mass	283.915g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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