AG003K6L

108052-76-2 | 4-(Bromomethyl)-Benzoic Acid,1,1-Dimethylethyl Ester

AG003K6L

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CAS Number	108052-76-2
Catalog Number	AG003K6L(AGN-PC-008N12)
Chemical Name	4-(Bromomethyl)-Benzoic Acid,1,1-Dimethylethyl Ester
IUPAC Name	tert-butyl 4-(bromomethyl)benzoate
InChI	InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
InChI Key	GSIBTIUXYYFCPU-UHFFFAOYSA-N
MDL Number	MFCD04973450
Molecular Formula	C12H15BrO2
Molecular Weight	271.1503
SMILES	O=C(OC(C)(C)C)c1ccc(cc1)CBr
Synonyms	Tert-butyl 4-(bromomethyl)benzoate, 108052-76-2, 4-Bromomethylbenzoic acid tert-butyl ester, 4-Bromomethyl-benzoic acid tert-butyl ester, TERT-BUTYL-4-BROMOMETHYLBENZOATE, 4-Bromo methyl benzoic acid mono tert-butyl ester, 4-(bromomethyl)benzoic acid tert-butyl ester, tert-butyl p-(bromomethyl) Benzoate, t-butyl 4-bromomethylbenzoate, MFCD04973450, 4-(BROMOMETHYL)-BENZOIC ACID,1,1-DIMETHYLETHYL ESTER, AK-25285, 4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER, 1,1-dimethylethyl 4-(bromomethyl)benzoate, Benzoic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester, PubChem13646, t-butyl-4-bromomethylbenzoate, SCHEMBL508555, AMBZ0199, Jsp000703, t-butyl 4-(bromomethyl)benzoate, tert-butyl 4-bromomethylbenzoate, CTK5I9803, KS-00000YTR, DTXSID30465188, tert-butyl 4-bromomethyl-benzoate, GSIBTIUXYYFCPU-UHFFFAOYSA-N, tert-butyl-4-(bromomethyl)benzoate, ACT01179, tert.-butyl-4-(brommethyl)benzoate, ZINC2540669, 4-tert-butoxycarbonyl-benzyl bromide, AC-179, ANW-51196, BBL102480, STL556283, AKOS005254964, AM83216, AS-7051, CB-1749, CM12527, CS-W012373, QC-7815, RP29634, RTR-001900, TRA0084811, VZ28409, 1,1-dimethylethyl 4-bromomethylbenzoate, 4-Bromomethylbenzoic acid t-butyl ester, 4-(bromomethyl)benzoic acid t-butylester, AJ-39126, AN-16044, BC003783, BC201416, BR-25285, OR310609, S806, SC-17255, SY031014, AB0018788, AX8000846, DB-040808, ST2413907, TR-001900, 2-Methyl-2-propanyl 4-(bromomethyl)benzoate, FT-0082285, FT-0642646, 4-(Bromomethyl)benzoic acid tert-butyl ester, 4-Bromomethylbenzoic acid monotert-butyl ester, MFCD04973450 (95%), B80023, M-1434, 052B762, A801802, C-17055, I01-9356, J-002049, J-514826, 4-(BROMOMETHYL)-BENZOIC ACID,1,1-DIMETHYLETHYL EST, 3-OCTEN-2-OL, C12H15BrO2, ACN-052166, CID11414578,

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	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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