AG006PAX

951884-50-7 | tert-Butyl 2-bromo-4-fluorobenzoate

AG006PAX

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CAS Number	951884-50-7
Catalog Number	AG006PAX(AGN-PC-0WNZRF)
Chemical Name	tert-Butyl 2-bromo-4-fluorobenzoate
IUPAC Name	tert-butyl 2-bromo-4-fluorobenzoate
InChI	InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,1-3H3
InChI Key	NCGLBILYMNWPMU-UHFFFAOYSA-N
MDL Number	MFCD09800899
Molecular Formula	C11H12BrFO2
Molecular Weight	275.1142
SMILES	CC(OC(C1=C(Br)C=C(F)C=C1)=O)(C)C
Synonyms	tert-Butyl 2-bromo-4-fluorobenzoate, 951884-50-7, 2-Bromo-4-fluorobenzoic acid tert-butyl ester, ACMC-209rwg, SCHEMBL1578885, CTK5H7485, DTXSID90650492, NCGLBILYMNWPMU-UHFFFAOYSA-N, ANW-40430, MFCD09800899, ZINC16159552, AKOS013211627, QC-7787, AJ-68697, TX-018093, ST24049666, Z1160, 2-Bromo-4-fluoro-benzoic acid tert-butyl ester, B-5372, I01-10708, Benzoic acid, 2-bromo-4-fluoro-, 1,1-dimethylethyl ester, C11H12BrFO2, tert-Butyl2-bromo-4-fluorobenzoate, 889858-12-2,

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	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number