AG005FXA

73123-47-4 | 4-Hexyl-1H-pyrazole

AG005FXA

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CAS Number	73123-47-4
Catalog Number	AG005FXA(AGN-PC-075UPS)
Chemical Name	4-Hexyl-1H-pyrazole
IUPAC Name	4-hexyl-1H-pyrazole
InChI	InChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key	RRESKZSKNBZJEF-UHFFFAOYSA-N
MDL Number	MFCD19105123
Molecular Formula	C9H16N2
Molecular Weight	152.2367
SMILES	CCCCCCC1=CNN=C1
Synonyms	4-Hexyl-1H-pyrazole, 73123-47-4, 1H-Pyrazole, 4-hexyl-, CHEMBL160460, AK139732, 1H-PYRAZOLE,4-HEXYL-, SCHEMBL2541661, CTK2H1720, DTXSID20658522, ACN-C000753, KS-00000PF1, BDBM50226204, MFCD19105123, ZINC27717116, AKOS015901462, DS-6706, WT81880, AJ-83361, DA-16823, AX8221826, FT-0728662, I14-14070,

Complexity	93.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.241g/mol
Monoisotopic Mass	152.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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