AG00HCLW

1131614-23-7 | Methyl 4-(difluoroMethoxy)-3-iodobenzoate

AG00HCLW

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CAS Number	1131614-23-7
Catalog Number	AG00HCLW(AGN-PC-0WAN1H)
Chemical Name	Methyl 4-(difluoroMethoxy)-3-iodobenzoate
IUPAC Name	methyl 4-(difluoromethoxy)-3-iodobenzoate
InChI	InChI=1S/C9H7F2IO3/c1-14-8(13)5-2-3-7(6(12)4-5)15-9(10)11/h2-4,9H,1H3
InChI Key	PHGNCRCKEXWDPQ-UHFFFAOYSA-N
MDL Number	MFCD11112921
Molecular Formula	C9H7F2IO3
Molecular Weight	328.0514
SMILES	O=C(OC)C1=CC=C(OC(F)F)C(I)=C1
Synonyms	methyl 4-(difluoromethoxy)-3-iodobenzoate, 1131614-23-7, AK133725, C9H7F2IO3, SCHEMBL3413242, CTK8E2118, DTXSID90661083, PHGNCRCKEXWDPQ-UHFFFAOYSA-N, MFCD11112921, ZINC39951782, AKOS015852084, DS-4714, BBV-44251784, AJ-100863, AX8255276, TC-067115, CS-0041000, FT-0659043, A802868, 4-(difluoromethoxy)-3-iodobenzoic acid methyl ester, A1-06230, I14-5554, methyl 4-[bis(fluoranyl)methoxy]-3-iodanyl-benzoate, ACN-052940, Methyl4-(difluoromethoxy)-3-iodobenzoate,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.941g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	328.053g/mol
Monoisotopic Mass	327.941g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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