AG00DKKF

445003-37-2 | tert-butyl 4-bromo-2-methylbenzoate

AG00DKKF

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CAS Number	445003-37-2
Catalog Number	AG00DKKF(AGN-PC-09T63I)
Chemical Name	tert-butyl 4-bromo-2-methylbenzoate
IUPAC Name	tert-butyl 4-bromo-2-methylbenzoate
InChI	InChI=1S/C12H15BrO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h5-7H,1-4H3
InChI Key	KKSOKTQAWHCIMG-UHFFFAOYSA-N
MDL Number	MFCD08703427
Molecular Formula	C12H15BrO2
Molecular Weight	271.1503
SMILES	O=C(OC(C)(C)C)C1=CC=C(Br)C=C1C
Synonyms	TERT-BUTYL 4-BROMO-2-METHYLBENZOATE, 445003-37-2, Benzoic acid,4-(bromomethyl)-, 1,1-dimethylethyl ester, ACMC-1ARXA, SCHEMBL277358, CTK4A5828, KS-00001BEI, DTXSID90700587, KKSOKTQAWHCIMG-UHFFFAOYSA-N, MFCD08703427, ZINC68813139, tert-butyl 4-bromo-2-methyl-benzoate, tert.butyl 4-bromo-2-methyl-benzoate, AKOS013211239, QC-7789, tert.-butyl 4-bromo-2-methyl-benzoate, CJ-21371, SC-59829, AJ-117156, CS-0038319, ST24050011, V5987, 4-bromo-2-methyl-benzoic acid tert-butyl ester, A1-07771, Benzoic acid, 4-bromo-2-methyl-, 1,1-dimethylethyl ester, C12H15BrO2, TERT-BUTYL4-BROMO-2-METHYLBENZOATE, 4-Bromo methyl benzoic acid mono tert-butyl ester, 108052-76-2,

Complexity	232
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	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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