AG01FNLE

2089650-81-5 | 5-Bromo-2-chloro-4-(trifluoromethyl)benzoic acid

AG01FNLE

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CAS Number	2089650-81-5
Catalog Number	AG01FNLE(AGN-PC-3H4BFE)
Chemical Name	5-Bromo-2-chloro-4-(trifluoromethyl)benzoic acid
IUPAC Name	5-bromo-2-chloro-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3BrClF3O2/c9-5-1-3(7(14)15)6(10)2-4(5)8(11,12)13/h1-2H,(H,14,15)
InChI Key	ZFOHGYAHOICPJE-UHFFFAOYSA-N
MDL Number	MFCD30829181
Molecular Formula	C8H3BrClF3O2
Molecular Weight	303.4604
SMILES	BrC=1C(=CC(=C(C(=O)O)C1)Cl)C(F)(F)F
Synonyms	5-Bromo-2-chloro-4-(trifluoromethyl)benzoic acid, 2089650-81-5,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.896g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	303.459g/mol
Monoisotopic Mass	301.896g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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