AG003MG6

1048963-39-8 | 5-Bromo-2-(trifluoromethoxy)phenol

AG003MG6

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CAS Number	1048963-39-8
Catalog Number	AG003MG6(AGN-PC-0BTQQ6)
Chemical Name	5-Bromo-2-(trifluoromethoxy)phenol
IUPAC Name	5-bromo-2-(trifluoromethoxy)phenol
InChI	InChI=1S/C7H4BrF3O2/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3,12H
InChI Key	GJWAGGWLHRHYOE-UHFFFAOYSA-N
MDL Number	MFCD21333031
Molecular Formula	C7H4BrF3O2
Molecular Weight	257.0047
SMILES	OC1=CC(Br)=CC=C1OC(F)(F)F
Synonyms	5-Bromo-2-(trifluoromethoxy)phenol, 1048963-39-8, ACMC-2098dt, SCHEMBL4641653, 5-Bromo-2-trifluoromethoxyphenol, CTK8A9090, DTXSID00726374, GJWAGGWLHRHYOE-UHFFFAOYSA-N, KS-000009DI, ZX-RL006984, ANW-15135, MFCD21333031, ZINC85471749, AKOS022171841, FCH1609360, TRA0083254, AS-19675, DA-15970, PC499007, SY027312, AB0036394, AJ-127816, AX8257962, TC-103880, CS-0084810, FT-0736264, ST24044408, Y3591, Q-8933, MFCD21333031 (95+%), C7H4BrF3O2,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.935g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.006g/mol
Monoisotopic Mass	255.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number