AG000FO9

1150163-69-1 | Benzoic acid, 5-bromo-2,3-difluoro-, methyl ester

AG000FO9

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CAS Number	1150163-69-1
Catalog Number	AG000FO9(AGN-PC-0WNO0F)
Chemical Name	Benzoic acid, 5-bromo-2,3-difluoro-, methyl ester
IUPAC Name	methyl 5-bromo-2,3-difluorobenzoate
InChI	InChI=1S/C8H5BrF2O2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3
InChI Key	DKMZPQFQQSKBRL-UHFFFAOYSA-N
MDL Number	MFCD12026006
Molecular Formula	C8H5BrF2O2
Molecular Weight	251.0249
SMILES	COC(=O)C1=C(F)C(F)=CC(Br)=C1
Synonyms	METHYL 5-BROMO-2,3-DIFLUOROBENZOATE, 1150163-69-1, ACMC-2099ni, CTK4A9069, DTXSID70675087, ANW-16780, MFCD12026006, ZINC38537573, AKOS015834359, RTR-002778, AJ-96172, PS-10104, TR-002778, Z7564, A-5086, Benzoic acid, 5-bromo-2,3-difluoro-, methyl ester, I01-10895, C8H5BrF2O2,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.944g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.027g/mol
Monoisotopic Mass	249.944g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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