AG00G4M8

77614-79-0 | 3,5-Bis(difluoromethyl)-1H-pyrazole

AG00G4M8

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CAS Number	77614-79-0
Catalog Number	AG00G4M8(AGN-PC-0LW8LP)
Chemical Name	3,5-Bis(difluoromethyl)-1H-pyrazole
IUPAC Name	3,5-bis(difluoromethyl)-1H-pyrazole
InChI	InChI=1S/C5H4F4N2/c6-4(7)2-1-3(5(8)9)11-10-2/h1,4-5H,(H,10,11)
InChI Key	YYPFZXBEOCAFDL-UHFFFAOYSA-N
MDL Number	MFCD03419821
Molecular Formula	C5H4F4N2
Molecular Weight	168.0923
SMILES	FC(C1=CC(C(F)F)=NN1)F
Synonyms	3,5-bis(difluoromethyl)-1H-pyrazole, 77614-79-0, 3,5-bis(difluoromethyl)pyrazole, AC1Q4KN5, C5H4F4N2, SCHEMBL3294976, CTK7B6450, DTXSID90427121, YYPFZXBEOCAFDL-UHFFFAOYSA-N, ALBB-012540, ZINC2559437, 3,5-Bis-difluoromethyl-1H-pyrazole, 9623AE, BBL008553, MFCD03419821, SBB020603, STK288936, AKOS000308128, MCULE-7566613419, 1H-pyrazole, 3,5-bis(difluoromethyl)-, AJ-40247, AB0157714, FT-0683608, ST45092442, EN300-90112, 3,5-bis(difluoromethyl)-1H-pyrazole(SALTDATA, Y-0393, I14-29498, ZINC02559437, CID7019433, 3,5-Bis(difluoromethyl)-1H-pyrazole 250g,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.095g/mol
Monoisotopic Mass	168.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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