AG001FLV

1483-56-3 | Benzoic acid, 2-bromo-5-(trifluoromethyl)-

AG001FLV

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CAS Number	1483-56-3
Catalog Number	AG001FLV(AGN-PC-00ONJX)
Chemical Name	Benzoic acid, 2-bromo-5-(trifluoromethyl)-
IUPAC Name	2-bromo-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4BrF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key	REBQGRPKXYIJDC-UHFFFAOYSA-N
MDL Number	MFCD06208253
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC=C1Br
Synonyms	2-Bromo-5-(trifluoromethyl)benzoic acid, 1483-56-3, Benzoic acid, 2-bromo-5-(trifluoromethyl)-, 2-Bromo-5-trifluoromethyl-benzoic acid, PubChem4736, ACMC-209d0f, KSC495E1N, SCHEMBL475120, RARECHEM AL BO 1009, CTK3J5216, DTXSID70570629, REBQGRPKXYIJDC-UHFFFAOYSA-N, ACT11963, KS-00000MW2, ANW-21133, MFCD06208253, ZINC14628940, 2-bromo-5-trifluoromethylbenzoic acid, AKOS005259152, AS01819, CB-1988, CS-W005258, GS-3541, RP29571, RTR-005958, AJ-65081, AK-33360, AN-12475, BC002825, SC-19154, SY021052, 2-bromo-5-(trifluoro methyl) benzoic acid, AB0022386, ST2416578, TR-005958, FT-0658993, W3239, MFCD06208253 (97%), 2-BROMO-5-(TRIFLUORMETHYL)BENZOIC ACID, A19969, Q-8878, I01-4621, J-508329, C8H4BrF3O2,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.017g/mol
Monoisotopic Mass	267.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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