AG008Z2T

1057961-75-7 | 4-Bromo-3-fluoro-benzoic acid tert-butyl ester

AG008Z2T

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CAS Number	1057961-75-7
Catalog Number	AG008Z2T(AGN-PC-0WBRIF)
Chemical Name	4-Bromo-3-fluoro-benzoic acid tert-butyl ester
IUPAC Name	tert-butyl 4-bromo-3-fluorobenzoate
InChI	InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
InChI Key	KLVOTIIVGDSRRO-UHFFFAOYSA-N
MDL Number	MFCD08703424
Molecular Formula	C11H12BrFO2
Molecular Weight	275.1142
SMILES	O=C(OC(C)(C)C)C1=CC=C(Br)C(F)=C1
Synonyms	tert-butyl 4-bromo-3-fluorobenzoate, 1057961-75-7, 4-Bromo-3-fluoro-benzoic acid tert-butyl ester, SCHEMBL17864531, DTXSID20733843, MFCD08703424, Tert-butyl-4-bromo-3-fluorobenzaote, ZINC68812870, AKOS013210825, CM12501, QC-8800, AK137418, SC-45669, AB0097551, AJ-117154, Z-8166,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.117g/mol
Monoisotopic Mass	274g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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