AG00763Y

120363-13-5 | tert-Butyl 4-iodobenzoate

AG00763Y

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CAS Number	120363-13-5
Catalog Number	AG00763Y(AGN-PC-0NGDSO)
Chemical Name	tert-Butyl 4-iodobenzoate
IUPAC Name	tert-butyl 4-iodobenzoate
InChI	InChI=1S/C11H13IO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key	QHHNHUWOOFETNQ-UHFFFAOYSA-N
MDL Number	MFCD11501908
Molecular Formula	C11H13IO2
Molecular Weight	304.1242
SMILES	C(=O)(OC(C)(C)C)c1ccc(cc1)I
Synonyms	Tert-butyl 4-iodobenzoate, 120363-13-5, Benzoic acid, 4-iodo-, 1,1-dimethylethyl ester, 1,1-Dimethylethyl 4-iodobenzoate, t-butyl p-iodobenzoate, ACMC-20c3sj, tert-Butyl p-Iodobenzoate, tert-Butyl-4-iodobenzoate, SCHEMBL1560690, CTK0F8953, DTXSID40456345, QHHNHUWOOFETNQ-UHFFFAOYSA-N, 4-Iodobenzoic Acid tert-butyl Ester, 3525AA, AR3341, MFCD11501908, ZINC35287623, 4-Iodo-benzoic acid tert-butyl ester, AKOS010054648, WT82428, AJ-91216, AK122985, AS-10216, TC-071962, 4-Iodobenzoic Acid 1,1-Dimethylethyl Ester, CS-0041087, FT-0664137, A26001, X-3247, I01-8677, C11H13IO2, CID11130493,

Complexity	200
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	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number