AG003357

81107-97-3 | 2-BROMO-4-(TRIFLUOROMETHYL)PHENOL

AG003357

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CAS Number	81107-97-3
Catalog Number	AG003357(AGN-PC-0KKOGJ)
Chemical Name	2-BROMO-4-(TRIFLUOROMETHYL)PHENOL
IUPAC Name	2-bromo-4-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4BrF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
InChI Key	DTEDKIRYMYDIGO-UHFFFAOYSA-N
MDL Number	MFCD06657954
Molecular Formula	C7H4BrF3O
Molecular Weight	241.0053
SMILES	FC(F)(F)c1ccc(O)c(c1)Br
Synonyms	2-Bromo-4-(trifluoromethyl)phenol, 81107-97-3, 3-BROMO-4-HYDROXYBENZOTRIFLUORIDE, 2-Bromo-4-Trifluoromethylphenol, Phenol, 2-bromo-4-(trifluoromethyl)-, BUTTPARK 180\07-84, MFCD06657954, PubChem18455, ACMC-209pkp, AC1MC4C2, KSC495C0J, SCHEMBL1290586, 4-trifluoromethyl-2-bromophenol, CTK3J5104, 2-bromo-4-trifluoromethyl-phenol, DTXSID30375596, DTEDKIRYMYDIGO-UHFFFAOYSA-N, KS-000009BL, ZINC4290331, ANW-37415, BBL101520, SBB099359, STL555316, AKOS005259238, AM61667, AS05460, CB-1574, CM11667, CS-W003301, LS10073, MCULE-9686321048, PS-7578, RP28457, RTC-030858, TF10020, TRA0072166, VZ23954, AJ-50320, AK-36443, BC004367, BC226699, BP-10422, BR-36443, CJ-11890, SC-22165, SY017920, AB0026823, DB-008172, ST2409651, TC-030858, FT-0647525, ST51042189, W8570, S-2380, MFCD06657954 (97+%), I01-6267, J-508251, 40D, C7H4BrF3O, ZINC04290331, CID2761168, B4492, A15965, 3-[2-Bromanyl-4-(Trifluoromethyl)phenoxy]-N-Methyl-3-Phenyl-Propan-1-Amine, 105250-16-6,

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	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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