AG001YVB

173406-17-2 | t-Butyl 3-iodobenzoate

AG001YVB

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CAS Number	173406-17-2
Catalog Number	AG001YVB(AGN-PC-01VCRG)
Chemical Name	t-Butyl 3-iodobenzoate
IUPAC Name	tert-butyl 3-iodobenzoate
InChI	InChI=1S/C11H13IO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChI Key	XZUWLKIILSZGIR-UHFFFAOYSA-N
MDL Number	MFCD18837617
Molecular Formula	C11H13IO2
Molecular Weight	304.1242
SMILES	O=C(OC(C)(C)C)C1=CC=CC(I)=C1
Synonyms	tert-Butyl 3-iodobenzoate, 173406-17-2, t-Butyl 3-iodobenzoate, 3-iodobenzoic acid tert-butyl ester, t-butyl-3-iodobenzoate, ACMC-209e6j, SCHEMBL1417078, CTK8B1006, DTXSID40593340, XZUWLKIILSZGIR-UHFFFAOYSA-N, ANW-22649, MFCD18837617, ZINC74934312, AKOS013212032, AK-94539, AS-41938, AJ-121374, TC-111394, FT-0702934, ST24025897, V3787, A-3096, Benzoic acid, 3-iodo-, 1,1-dimethylethyl ester, I01-11775, C11H13IO2, 3-iodobenzoic acid, tert-butyl ester,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.996g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	304.127g/mol
Monoisotopic Mass	303.996g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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