AG006Q6F

918487-09-9 | 4-Iodo-1-isobutyl-1H-pyrazole

AG006Q6F

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CAS Number	918487-09-9
Catalog Number	AG006Q6F(AGN-PC-03JK0Q)
Chemical Name	4-Iodo-1-isobutyl-1H-pyrazole
IUPAC Name	4-iodo-1-(2-methylpropyl)pyrazole
InChI	InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChI Key	PTARWFPVOYNYPY-UHFFFAOYSA-N
MDL Number	MFCD11054044
Molecular Formula	C7H11IN2
Molecular Weight	250.0801
SMILES	CC(C)Cn1cc(cn1)I
Synonyms	4-IODO-1-ISOBUTYL-1H-PYRAZOLE, 918487-09-9, 4-IODO-1-(2-METHYLPROPYL)-1H-PYRAZOLE, 1-isobutyl-4-iodo-1h-pyrazole, ACMC-209rds, SCHEMBL4612816, CTK5H0560, DTXSID20621933, 4-iodo-1-(2-methylpropyl)pyrazole, KS-00000Q1N, ANW-39758, KM3063, MFCD11054044, SBB074010, ZINC35323446, AKOS013751753, MCULE-8723413402, AJ-91300, AK-94545, BC000654, DS-17986, SY096662, TC-128503, 4-Iodo-1-isobutyl-1H-pyrazole, AldrichCPR, CS-0036157, V9143, MFCD11054044 (95%), F2147-6926, C7H11IN2,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.997g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.083g/mol
Monoisotopic Mass	249.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements
Siginal words

Certificate of Analysis

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