AG002D3A

200956-56-5 | Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester

AG002D3A

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CAS Number	200956-56-5
Catalog Number	AG002D3A(AGN-PC-022FAG)
Chemical Name	Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester
IUPAC Name	methyl 3-bromo-4-(difluoromethoxy)benzoate
InChI	InChI=1S/C9H7BrF2O3/c1-14-8(13)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3
InChI Key	PIVLQGBDVHMHDD-UHFFFAOYSA-N
MDL Number	MFCD11110884
Molecular Formula	C9H7BrF2O3
Molecular Weight	281.0509
SMILES	O=C(OC)C1=CC=C(OC(F)F)C(Br)=C1
Synonyms	methyl 3-bromo-4-(difluoromethoxy)benzoate, 200956-56-5, SCHEMBL8163137, DTXSID30596204, PIVLQGBDVHMHDD-UHFFFAOYSA-N, MFCD11110884, ZINC39951902, AKOS015852105, DS-4730, AK133892, BBV-44251761, AJ-100982, AX8255443, TC-067248, Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester, Methyl3-bromo-4-(difluoromethoxy)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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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