AG00DA5D

53903-51-8 | 4-Chloro-2-(trifluoromethyl)phenol

AG00DA5D

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CAS Number	53903-51-8
Catalog Number	AG00DA5D(AGN-PC-00K2YC)
Chemical Name	4-Chloro-2-(trifluoromethyl)phenol
IUPAC Name	4-chloro-2-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4ClF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChI Key	LUYVFIYUQPJQOJ-UHFFFAOYSA-N
MDL Number	MFCD00060673
Molecular Formula	C7H4ClF3O
Molecular Weight	196.5543
SMILES	OC1=CC=C(Cl)C=C1C(F)(F)F
Synonyms	4-Chloro-2-(trifluoromethyl)phenol, 53903-51-8, 4-Chloro-2-trifluoromethylphenol, 4-Chloro-2-trifluoromethyl-phenol, SCHEMBL1116804, DTXSID30512929, LUYVFIYUQPJQOJ-UHFFFAOYSA-N, MFCD00060673, ZINC21304553, AKOS009327542, AS05475, CM11703, CS-W022136, DS-6580, MB00505, MCULE-3611690970, Phenol, 4-chloro-2-(trifluoromethyl)-, AJ-78549, AK122189, AM807379, DA-18150, AB0042782, ST2405703, 4CH-016837, FT-0704109, TL80074135, Z0673, Q-8952, I01-7687, I01-7745, Z1592024516, C7H4ClF3O, A7829,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.99g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.553g/mol
Monoisotopic Mass	195.99g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number