AG00C76B

386-72-1 | 2-Nitro-3-(trifluoromethyl)phenol

AG00C76B

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CAS Number	386-72-1
Catalog Number	AG00C76B(AGN-PC-042Y2K)
Chemical Name	2-Nitro-3-(trifluoromethyl)phenol
IUPAC Name	2-nitro-3-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4F3NO3/c8-7(9,10)4-2-1-3-5(12)6(4)11(13)14/h1-3,12H
InChI Key	KLWSGZHZNIOCPO-UHFFFAOYSA-N
MDL Number	MFCD08282784
Molecular Formula	C7H4F3NO3
Molecular Weight	207.1068
SMILES	OC1=CC=CC(C(F)(F)F)=C1[N+]([O-])=O
Synonyms	2-nitro-3-(trifluoromethyl)phenol, 386-72-1, 2-Nitro-3-trifluoromethyl-phenol, Phenol, 2-nitro-3-(trifluoromethyl)-, PubChem16919, nitrotrifluoromethylphenol, tri-fluoromethyl nitrophenol, SCHEMBL2792217, CTK4I0314, DTXSID80633875, 3-Hydroxy-2-nitrobenzotrifluoride, KLWSGZHZNIOCPO-UHFFFAOYSA-N, KS-000010CJ, ZX-AP009814, MFCD08282784, ZINC63110848, AKOS015833490, BF-0762, FCH1386694, MCULE-2516475554, PC51036, RP12051, 2-Hydroxy-6-(trifluoromethyl)nitrobenzene, AK136401, AB0087680, AJ-114313, AX8257969, DB-069712, ST2404515, TR-015590, 4CH-018728, FT-0682917, Z1986, Z-9482, A824229, J-510153, I14-25664, C7H4F3NO3, alpha,alpha,alpha-trifluoro-2-nitro-m-cresol, 2-chloro-N-methyl-N-(4-methylcyclohexyl)acetamide,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.014g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.108g/mol
Monoisotopic Mass	207.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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

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