AG005Z67

690264-39-2 | 4-Bromo-2-(trifluoromethoxy)phenol

AG005Z67

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CAS Number	690264-39-2
Catalog Number	AG005Z67(AGN-PC-00G0EQ)
Chemical Name	4-Bromo-2-(trifluoromethoxy)phenol
IUPAC Name	4-bromo-2-(trifluoromethoxy)phenol
InChI	InChI=1S/C7H4BrF3O2/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3,12H
InChI Key	GYXNTPVMXGBRQW-UHFFFAOYSA-N
MDL Number	MFCD09037798
Molecular Formula	C7H4BrF3O2
Molecular Weight	257.0047
SMILES	OC1=CC=C(Br)C=C1OC(F)(F)F
Synonyms	4-bromo-2-(trifluoromethoxy)phenol, 690264-39-2, MFCD09037798, AK103205, SCHEMBL213780, 4-bromo-2-trifluoromethoxyphenol, CTK5C8921, DTXSID60472466, 4-bromo-2-trifluoromethoxy-phenol, GYXNTPVMXGBRQW-UHFFFAOYSA-N, KS-00000QC2, ZX-RL003792, ANW-65012, BBL100440, STL554234, ZINC15444600, AKOS005254567, DS-4041, FCH1325602, 4-bromanyl-2-(trifluoromethyloxy)phenol, Phenol, 4-bromo-2-(trifluoromethoxy)-, AC-30071, AJ-67552, PC500169, SY029799, AB0067579, AX8234744, DB-074093, ST2405597, TC-153757, 4CH-017227, FT-0768937, MFCD09037798 (97%), Q-8932, A816954, 4-BROMO-2- PHENOL, CID11780151, 238742-91-1,

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	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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