AG00940I

1131587-78-4 | Methyl 5-bromo-2-(difluoromethoxy)benzoate

AG00940I

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CAS Number	1131587-78-4
Catalog Number	AG00940I(AGN-PC-079S1K)
Chemical Name	Methyl 5-bromo-2-(difluoromethoxy)benzoate
IUPAC Name	methyl 5-bromo-2-(difluoromethoxy)benzoate
InChI	InChI=1S/C9H7BrF2O3/c1-14-8(13)6-4-5(10)2-3-7(6)15-9(11)12/h2-4,9H,1H3
InChI Key	UBPSOKPHMMEARW-UHFFFAOYSA-N
MDL Number	MFCD11110847
Molecular Formula	C9H7BrF2O3
Molecular Weight	281.0509
SMILES	O=C(OC)C1=CC(Br)=CC=C1OC(F)F
Synonyms	methyl 5-bromo-2-(difluoromethoxy)benzoate, 1131587-78-4, SCHEMBL15270595, CTK8E2047, KS-00000RJE, DTXSID00661019, UBPSOKPHMMEARW-UHFFFAOYSA-N, BBL104173, MFCD11110847, STL557987, ZINC39951701, AKOS015852255, DS-4721, AK133834, SC-70486, AJ-100787, ST2413439, TC-067025, 4CH-016699, FT-0658677, A802789, I14-5479, 5-bromo-2-(difluoromethoxy)benzoic acid methyl ester, methyl 2-[bis(fluoranyl)methoxy]-5-bromanyl-benzoate,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.955g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	281.053g/mol
Monoisotopic Mass	279.955g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number