AG0007SL

1025718-84-6 | Phenol, 3-bromo-5-(trifluoromethyl)-

AG0007SL

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CAS Number	1025718-84-6
Catalog Number	AG0007SL(AGN-PC-035IAJ)
Chemical Name	Phenol, 3-bromo-5-(trifluoromethyl)-
IUPAC Name	3-bromo-5-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4BrF3O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
InChI Key	BWJBVICFLRSNNM-UHFFFAOYSA-N
MDL Number	MFCD11041083
Molecular Formula	C7H4BrF3O
Molecular Weight	241.0053
SMILES	OC1=CC(C(F)(F)F)=CC(Br)=C1
Synonyms	3-Bromo-5-(trifluoromethyl)phenol, 1025718-84-6, 3-Bromo-5-Trifluoromethylphenol, Phenol, 3-bromo-5-(trifluoromethyl)-, KSC494M5D, SCHEMBL1336153, CTK3J4651, KS-00000OQP, DTXSID30610595, ACMC-209826, ANW-14716, CL8479, MFCD11041083, ZINC42750102, AKOS014513833, AM61260, CS-W019235, GS-3965, AC-30042, AK-76694, BR-76694, CJ-20364, SC-89227, SY030145, AB0034463, AJ-104714, DB-058829, RT-002117, FT-0745318, ST24022748, X8621, MFCD11041083 (95%), S-5074, C7H4BrF3O, 5-BROMO-3-TRIFLUOROMETHYLPHENOL,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.94g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.007g/mol
Monoisotopic Mass	239.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^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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