AG009WLC

1233513-13-7 | 1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole

AG009WLC

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CAS Number	1233513-13-7
Catalog Number	AG009WLC(AGN-PC-0WAJ9D)
Chemical Name	1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole
IUPAC Name	tert-butyl 3-iodopyrazole-1-carboxylate
InChI	InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-4-6(9)10-11/h4-5H,1-3H3
InChI Key	RKFMLIZYBJXJEB-UHFFFAOYSA-N
MDL Number	MFCD12407121
Molecular Formula	C8H11IN2O2
Molecular Weight	294.0896
SMILES	O=C(n1ccc(n1)I)OC(C)(C)C
Synonyms	1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole, 1233513-13-7, tert-Butyl 3-iodo-1H-pyrazole-1-carboxylate, ACMC-209aot, SCHEMBL17377610, CTK7G2857, DTXSID90674178, ANW-18123, MFCD12407121, ZINC36533661, AKOS015908103, AJ-93233, TC-106868, Z8706, B-6714, I14-25096, C8H11IN2O2,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.987g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.092g/mol
Monoisotopic Mass	293.987g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements

Certificate of Analysis

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