AG003LK5

313350-82-2 | 4-Iodo-1-isopropyl-1H-pyrazole

AG003LK5

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CAS Number	313350-82-2
Catalog Number	AG003LK5(AGN-PC-03I4Y5)
Chemical Name	4-Iodo-1-isopropyl-1H-pyrazole
IUPAC Name	4-iodo-1-propan-2-ylpyrazole
InChI	InChI=1S/C6H9IN2/c1-5(2)9-4-6(7)3-8-9/h3-5H,1-2H3
InChI Key	CFXNVDUEBJYAAZ-UHFFFAOYSA-N
MDL Number	MFCD00466397
Molecular Formula	C6H9IN2
Molecular Weight	236.0535
SMILES	CC(N1N=CC(I)=C1)C
Synonyms	4-Iodo-1-isopropyl-1H-pyrazole, 313350-82-2, 4-Iodo-1-isopropylpyrazole, 4-Iodo-1-(propan-2-yl)-1H-pyrazole, 1H-Pyrazole, 4-iodo-1-(1-methylethyl)-, ACMC-209hlq, 4-iodo-1-propan-2-ylpyrazole, SCHEMBL1365662, 4-iodo-1-(methylethyl)pyrazole, CTK4G6872, KS-00000DRE, DTXSID90620574, CFXNVDUEBJYAAZ-UHFFFAOYSA-N, ANW-27084, MFCD11867882, SBB073996, ZINC36533631, AKOS013753887, MCULE-7478578453, TRA0043624, AJ-93224, AS-31863, CJ-18969, SY023079, TR-036446, 4-Iodo-1-isopropyl-1H-pyrazole, AldrichCPR, V5088, K-7419, MFCD11867882 (97+%), I14-25455, F8886-7544, C6H9IN2,

Complexity	95.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.981g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.056g/mol
Monoisotopic Mass	235.981g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number