AG008Z79

105285-21-0 | 4-Tert-Butyl-1H-Pyrazole

AG008Z79

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CAS Number	105285-21-0
Catalog Number	AG008Z79(AGN-PC-0035CF)
Chemical Name	4-Tert-Butyl-1H-Pyrazole
IUPAC Name	4-tert-butyl-1H-pyrazole
InChI	InChI=1S/C7H12N2/c1-7(2,3)6-4-8-9-5-6/h4-5H,1-3H3,(H,8,9)
InChI Key	SFRZJVGGJFNWHZ-UHFFFAOYSA-N
MDL Number	MFCD11847492
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	CC(C1=CNN=C1)(C)C
Synonyms	4-(tert-Butyl)-1H-pyrazole, 105285-21-0, 4-TERT-BUTYL-1H-PYRAZOLE, 4-tertbutyl-1H-Pyrazole, 1H-Pyrazole, 4-(1,1-dimethylethyl)-, 4-t-butylpyrazole, SCHEMBL179541, ACMC-20m849, CTK0G5623, DTXSID80566250, SFRZJVGGJFNWHZ-UHFFFAOYSA-N, ACN-C000756, KS-00000PF3, MFCD11847492, ZINC34413164, AKOS015899812, ACN-000756, CS-W004186, RD-0178, SB12167, AJ-88400, AK139733, SC-32946, ST2405477, 4CH-016956, BB 0261665, J-516001, I14-11620,

Complexity	93.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.187g/mol
Monoisotopic Mass	124.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number