AG00ED6V

60061-68-9 | 4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole

AG00ED6V

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CAS Number	60061-68-9
Catalog Number	AG00ED6V(AGN-PC-0OD105)
Chemical Name	4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole
IUPAC Name	4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C5H4BrF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)
InChI Key	PDSOUBXNWWZCNB-UHFFFAOYSA-N
MDL Number	MFCD00120266
Molecular Formula	C5H4BrF3N2
Molecular Weight	228.9979
SMILES	FC(C1=C(Br)C(C)=NN1)(F)F
Synonyms	60061-68-9, 4-Bromo-3-Methyl-5-(Trifluoromethyl)-1h-Pyrazole, 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, 4-Bromo-5-methyl-3-trifluoromethylpyrazole, 4-bromo-5-methyl-3-(trifluoromethyl)pyrazole, 1H-Pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)-, 4-bromo-3-(trifluoromethyl)-5-(methyl)pyrazole, MFCD08060951, 4-bromo-3-methyl-5-(trifluoromethyl)pyrazole, 4-Bromo-5-methyl-3-trifluoromethyl-1H-pyrazole, ACMC-20aiyv, AC1MC5KI, AC1Q2D2O, SCHEMBL316424, CTK5B0921, CTK6C3908, DTXSID50371358, PDSOUBXNWWZCNB-UHFFFAOYSA-N, KS-000010UR, ZINC4241968, ZX-AP005737, ABP001051, ANW-33424, ANW-75509, PC0102, SBB025827, STK352755, AKOS005168532, AKOS015901696, AS-5627, CS-W010395, FCH1320455, HCH0023131, LS20807, MCULE-3236631918, AJ-49504, AK126875, AM808061, AN-39468, BP-10277, CJ-11654, 4-bromo-3-trifluoromethyl-5-methylpyrazole, AJ-135479, ST2405630, TR-020790, 4CH-000477, B4770, ST50408731, V6852, 4-Bromo-3-methyl-5-trifluoromethyl-1H-pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)-2H-pyrazole, I14-14635, 4-bromo-5-methyl-3-trifluoromethylpyrazole, AldrichCPR, C5H4BrF3N2, ZINC04241968, ACN-046578, CID2736430, A8407, 4-Bromo-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole 100g, 408326-82-9,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.951g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229g/mol
Monoisotopic Mass	227.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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