AG00AQHD

1437794-58-5 | 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole

AG00AQHD

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CAS Number	1437794-58-5
Catalog Number	AG00AQHD(AGN-PC-0WANKM)
Chemical Name	4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole
IUPAC Name	4-bromo-1-butyl-3-(trifluoromethyl)pyrazole
InChI	InChI=1S/C8H10BrF3N2/c1-2-3-4-14-5-6(9)7(13-14)8(10,11)12/h5H,2-4H2,1H3
InChI Key	NNCCJUQHKDUBCU-UHFFFAOYSA-N
MDL Number	MFCD24448781
Molecular Formula	C8H10BrF3N2
Molecular Weight	271.0776
SMILES	FC(C1=NN(CCCC)C=C1Br)(F)F
Synonyms	1437794-58-5, 4-BROMO-1-BUTYL-3-(TRIFLUOROMETHYL)PYRAZOLE, 4-Bromo-1-butyl-3-(trifluoromethyl)-1H-pyrazole, AK167900, KS-00000SXN, KM3843, MFCD24448781, ZINC95495574, AKOS025287503, AM85167, DS-9598, PC448005, V3275, 1H-Pyrazole, 4-bromo-1-butyl-3-(trifluoromethyl)-, C8H10BrF3N2, ACN-046593,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.998g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.081g/mol
Monoisotopic Mass	269.998g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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