AG003UJ5

33155-58-7 | tert-Butyl 2-(4-Bromophenyl)acetate

AG003UJ5

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CAS Number	33155-58-7
Catalog Number	AG003UJ5(AGN-PC-002ISF)
Chemical Name	tert-Butyl 2-(4-Bromophenyl)acetate
IUPAC Name	tert-butyl 2-(4-bromophenyl)acetate
InChI	InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChI Key	ZMSZCAZHKBNPDV-UHFFFAOYSA-N
MDL Number	MFCD11975535
Molecular Formula	C12H15BrO2
Molecular Weight	271.1503
SMILES	O=C(OC(C)(C)C)CC1=CC=C(Br)C=C1
Synonyms	TERT-BUTYL 2-(4-BROMOPHENYL)ACETATE, 33155-58-7, Benzeneacetic acid, 4-bromo-, 1,1-dimethylethyl ester, SCHEMBL5533824, ZMSZCAZHKBNPDV-UHFFFAOYSA-N, tert-Butyl (4-bromophenyl)acetate, KS-00000BS9, tert-Butyl2-(4-Bromophenyl)acetate, 7349AJ, MFCD11975535, ZINC68813429, AKOS013210849, TRA0054423, AK208800, BBV-38102974, CJ-21372, CS-11565, DA-06807, SC-69417, SY025134, (4-Bromophenyl)acetic acid tert-butyl ester, FT-0703599, Z-3563, MFCD11975535 (97+%), C12H15BrO2,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.026g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.154g/mol
Monoisotopic Mass	270.026g/mol
Rotatable Bond Count	4
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
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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