AG00277Q

179692-08-1 | 1H-Pyrazole-3-carboxylic acid, 4-iodo-, ethyl ester

AG00277Q

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CAS Number	179692-08-1
Catalog Number	AG00277Q(AGN-PC-0KLTEL)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 4-iodo-, ethyl ester
IUPAC Name	ethyl 4-iodo-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C6H7IN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9)
InChI Key	MOURTQXAPIMDJC-UHFFFAOYSA-N
MDL Number	MFCD00466329
Molecular Formula	C6H7IN2O2
Molecular Weight	266.0365
SMILES	CCOC(=O)C1=C(I)C=NN1
Synonyms	ethyl 4-iodo-1H-pyrazole-5-carboxylate, 179692-08-1, ethyl 4-iodo-1H-pyrazole-3-carboxylate, Ethyl 4-iodopyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4-iodo-, ethyl ester, AC1MCYO7, SCHEMBL370614, CTK8C3462, DTXSID10385178, MOURTQXAPIMDJC-UHFFFAOYSA-N, ethyl 4-iodopyrazole-5-carboxylate, ZINC3832442, ANW-70126, MFCD00466329, SBB073964, STL415470, AKOS015920860, AKOS027469922, CS-W005420, DS-2241, MCULE-3574157740, PB38189, SB20478, KS-000007D9, AJ-45799, AK100558, DA-09079, SC-96281, AB0055860, TC-158871, 4CH-012209, FT-0697854, Z4311, Q-1116, 4-Iodo-1H-pyrazole-3-carboxylic acid ethyl ester, C6H7IN2O2, CID2828047, Ethyl 4-iodo-2H-pyrazole-3-carboxylate, N/A,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.955g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	266.038g/mol
Monoisotopic Mass	265.955g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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