AG00IHOZ

93608-11-8 | 1H-Pyrazole, 3-bromo-5-(trifluoromethyl)-

AG00IHOZ

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CAS Number	93608-11-8
Catalog Number	AG00IHOZ(AGN-PC-0I3402)
Chemical Name	1H-Pyrazole, 3-bromo-5-(trifluoromethyl)-
IUPAC Name	3-bromo-5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C4H2BrF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChI Key	ULONMXISWOZBAK-UHFFFAOYSA-N
MDL Number	MFCD12755885
Molecular Formula	C4H2BrF3N2
Molecular Weight	214.9713
SMILES	FC(C1=CC(Br)=NN1)(F)F
Synonyms	93608-11-8, 3-BROMO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE, 3-Bromo-5-(trifluoromethyl)pyrazole, 1H-Pyrazole, 3-bromo-5-(trifluoromethyl)-, 5-BROMO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE, SCHEMBL3693279, SCHEMBL18758433, ULONMXISWOZBAK-UHFFFAOYSA-N, 5829AJ, MFCD12755885, STL434969, ZINC95346841, AKOS015997378, AKOS022183354, AB65796, AB68547, AK-78235, DS-17294, SC-87635, SY032370, AJ-132623, ST24041890, MFCD12755885 (95%), A-6863, C4H2BrF3N2, ACN-048640,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.935g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.973g/mol
Monoisotopic Mass	213.935g/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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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