AG00E9QV

59247-47-1 | TERT-BUTYL-4-BROMOBENZOATE

AG00E9QV

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CAS Number	59247-47-1
Catalog Number	AG00E9QV(AGN-PC-0070EW)
Chemical Name	TERT-BUTYL-4-BROMOBENZOATE
IUPAC Name	tert-butyl 4-bromobenzoate
InChI	InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key	BFJJYXUCGYOXDM-UHFFFAOYSA-N
MDL Number	MFCD00093266
Molecular Formula	C11H13BrO2
Molecular Weight	257.1237
SMILES	O=C(OC(C)(C)C)C1=CC=C(Br)C=C1
Synonyms	Tert-butyl 4-bromobenzoate, 59247-47-1, TERT-BUTYL-4-BROMOBENZOATE, Tert-butyl4-bromobenzoate, Benzoic acid, 4-bromo-, 1,1-dimethylethyl ester, 4-BROMO-BENZOIC ACID TERT-BUTYL ESTER, 4-Bromobenzoic Acid tert-Butyl Ester, t-butyl p-bromobenzoate, t-butyl 4-bromobenzoate, tert-Butyl p-Bromobenzoate, tert.-butyl 4-bromobenzoate, tert-Butyl-4-bromo-benzoate, SCHEMBL277667, 4-t-butoxycarbonylphenyl bromide, MOLARCH MA_010085, CTK5A9648, DTXSID20462722, BFJJYXUCGYOXDM-UHFFFAOYSA-N, OTAVA-BB 1373064, ART-CHEM-BB ACB000224, ACT01086, BCP27438, KS-00000JY3, ZINC4235226, ANW-47402, MFCD00093266, 4-bromo benzoic acid tert-butyl ester, 4-bromobenzoic acid tert.-butyl ester, AKOS013212843, AB03329, AS03477, CB-2029, CM12450, GS-6859, QC-7791, UKRORGSYN-BB BBV-32035443, 4-Bromo-benzoic acid tert.-butyl ester, AJ-49225, AK-39283, BC652490, BR-39283, SC-12775, SY036389, AB0006947, DB-007895, ST2419967, TC-030824, 4-Bromobenzoic Acid 1,1-Dimethylethyl Ester, 4CH-000372, AM20040797, CS-0040641, FT-0084727, FT-0602448, X2855, MFCD00093266 (95%), A15674, C-1123, Benzoic acid, 4-bromo-,1,1-dimethylethyl ester, 247B471, I01-8159, J-524840, 4-[(N-TERT-BUTOXYCARBONYL)AMINOMETHYL]ANILINE, t-Butyl 4-bromobutyrate, t-butyl 4-bromobutanoate, tert-butyl 4-bromobutyrate, tert-butyl 4-bromobutanoate, 3-(Boc-amino)propyl bromide, C11H13BrO2, 4-(N-Boc-aminomethyl)aniline, tert-butyl 4-aminobenzylcarbamate, 4-bromobutyric acid-t-butyl ester, 4-(BOC-AMINOMETHYL)-ANILINE, 4-Bromo-butyric acid tert-butyl ester, tert-Butyl N-(4-aminobenzyl)carbamate, ACN-046623, CID11334366, (4-AMINO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER, 110661-91-1,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.127g/mol
Monoisotopic Mass	256.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number