AG001MNA

1504876-00-9 | Benzoic acid, 3-bromo-2,5-difluoro-, ethyl ester

AG001MNA

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CAS Number	1504876-00-9
Catalog Number	AG001MNA(AGN-PC-0WD4DK)
Chemical Name	Benzoic acid, 3-bromo-2,5-difluoro-, ethyl ester
IUPAC Name	ethyl 3-bromo-2,5-difluorobenzoate
InChI	InChI=1S/C9H7BrF2O2/c1-2-14-9(13)6-3-5(11)4-7(10)8(6)12/h3-4H,2H2,1H3
InChI Key	LNANLRIATMKUKI-UHFFFAOYSA-N
MDL Number	MFCD24107034
Molecular Formula	C9H7BrF2O2
Molecular Weight	265.0515
SMILES	O=C(OCC)C1=CC(F)=CC(Br)=C1F
Synonyms	Ethyl 3-bromo-2,5-difluorobenzoate, 1504876-00-9, MFCD24107034, ZINC95930275, AKOS020007400, AJ-136180, Benzoic acid, 3-bromo-2,5-difluoro-, ethyl ester,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.96g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.054g/mol
Monoisotopic Mass	263.96g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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