AG0039CE

1100212-66-5 | 7-BROMO-5-(TRIFLUOROMETHYL)-1H-INDAZOLE

AG0039CE

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CAS Number	1100212-66-5
Catalog Number	AG0039CE(AGN-PC-0WANB4)
Chemical Name	7-BROMO-5-(TRIFLUOROMETHYL)-1H-INDAZOLE
IUPAC Name	7-bromo-5-(trifluoromethyl)-1H-indazole
InChI	InChI=1S/C8H4BrF3N2/c9-6-2-5(8(10,11)12)1-4-3-13-14-7(4)6/h1-3H,(H,13,14)
InChI Key	KRAPGTPHSWVOAC-UHFFFAOYSA-N
MDL Number	MFCD27939136
Molecular Formula	C8H4BrF3N2
Molecular Weight	265.0300
SMILES	FC(C1=CC2=C(NN=C2)C(Br)=C1)(F)F
Synonyms	7-Bromo-5-(trifluoromethyl)-1H-indazole, 1100212-66-5, AK147415, 1H-Indazole, 7-bromo-5-(trifluoromethyl)-, SCHEMBL2426591, KRAPGTPHSWVOAC-UHFFFAOYSA-N, KS-000005PA, MFCD27939136, ZINC89200536, AKOS022187469, 7-Bromo-5-trifluoromethyl-1H-indazole, DS-8770, FCH2514433, SB13428, AJ-128379, AX8284852, CS-0041312,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.951g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.033g/mol
Monoisotopic Mass	263.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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