AG008FG7

85373-96-2 | 3-Bromo-4-(trifluoromethoxy)benzoic acid

AG008FG7

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CAS Number	85373-96-2
Catalog Number	AG008FG7(AGN-PC-0WA684)
Chemical Name	3-Bromo-4-(trifluoromethoxy)benzoic acid
IUPAC Name	3-bromo-4-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4BrF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key	FZZJKGGHTKIIIJ-UHFFFAOYSA-N
MDL Number	MFCD11110888
Molecular Formula	C8H4BrF3O3
Molecular Weight	285.0148
SMILES	O=C(O)C1=CC=C(OC(F)(F)F)C(Br)=C1
Synonyms	3-bromo-4-(trifluoromethoxy)benzoic acid, 85373-96-2, SCHEMBL1918950, CTK5F4816, DTXSID60604487, FZZJKGGHTKIIIJ-UHFFFAOYSA-N, 3243AC, ANW-73323, MFCD11110888, ZINC39951906, AKOS015855838, 3-Bromo-4-trifluoromethoxybenzoic acid, PS-7195, 3-Bromo-4-trifluoromethoxy-benzoic acid, KS-00003R08, BC687388, AB0000204, AJ-100986, DB-076336, ST2404941, TC-067252, TC-162068, 4CH-019133, CS-0084296, FT-0764208, Benzoic acid, 3-bromo-4-(trifluoromethoxy)-, 3-Bromo-4-(trifluoromethoxy)benzoic acid 98%, S-1233, 2-Bromo-4-carboxy-alpha,alpha,alpha-trifluoroanisole, C8H4BrF3O3, 3-Bromo-4-(trifluoromethoxy)benzoicacid, 1110709-70-0,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.93g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.016g/mol
Monoisotopic Mass	283.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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