AG003TCE

39028-25-6 | 2,5-Dioxopyrrolidin-1-yl 4-iodobenzoate

AG003TCE

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CAS Number	39028-25-6
Catalog Number	AG003TCE(AGN-PC-000QRM)
Chemical Name	2,5-Dioxopyrrolidin-1-yl 4-iodobenzoate
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate
InChI	InChI=1S/C11H8INO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChI Key	FUJICALGSOMFAM-UHFFFAOYSA-N
MDL Number	MFCD24387072
Molecular Formula	C11H8INO4
Molecular Weight	345.0900
SMILES	O=C(ON1C(CCC1=O)=O)C2=CC=C(I)C=C2
Synonyms	N-succinimidyl 4-iodobenzoate, NS-p-IB, 39028-25-6, N-Succinimidyl 4-iodobenzoate, 2,5-Dioxopyrrolidin-1-yl 4-iodobenzoate, N-Succinimidyl-4-iodobenzoate, 2,5-Pyrrolidinedione, 1-((4-iodobenzoyl)oxy)-, 2,5-Pyrrolidinedione, 1-[(4-iodobenzoyl)oxy]-, NS-p-IB, 1-[(4-iodobenzoyl)oxy]pyrrolidine-2,5-dione, ACMC-20d0lt, AC1Q6LKR, N-succinimidyl4-iodobenzoate, N-succinimidyl p-iodobenzoate, SCHEMBL317627, AC1L551X, CTK1C5535, DTXSID20192294, FUJICALGSOMFAM-UHFFFAOYSA-N, MFCD24387072, 4-Iodobenzoic acid succinimidyl ester, AKOS024257918, ZINC100108291, GS-5649, TRA0040797, KS-0000264H, AK202174, (2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate, CS-0060245, FT-0698366, C11H8INO4, KST-1B4630, C11-H8-I-N-O4, AR-1B8713, CID170152, 51072-36-7, 28804-88-8,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.95g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	345.092g/mol
Monoisotopic Mass	344.95g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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