AG00CAR3

402-17-5 | 2-Nitro-5-(trifluoromethyl)phenol

AG00CAR3

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WARNING This product is not for human or veterinary use.

CAS Number	402-17-5
Catalog Number	AG00CAR3(AGN-PC-000DI9)
Chemical Name	2-Nitro-5-(trifluoromethyl)phenol
IUPAC Name	2-nitro-5-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11(13)14)6(12)3-4/h1-3,12H
InChI Key	FVKYLHATVWKUMW-UHFFFAOYSA-N
MDL Number	MFCD08282785
Molecular Formula	C7H4F3NO3
Molecular Weight	207.1068
SMILES	OC1=C(C=CC(=C1)C(F)(F)F)[N+]([O-])=O
Synonyms	2-nitro-5-(trifluoromethyl)phenol, 402-17-5, 2-Nitro-5-trifluoromethyl-phenol, 2-Nitro-5-(trifluoromethyl)benzenol, 2-nitro-5-trifluoromethylphenol, Phenol, 2-nitro-5-(trifluoromethyl)-, AK-99887, SCHEMBL1024910, 2-nitro-5-trifiuoromethylphenol, CTK4I2669, DTXSID30555755, FVKYLHATVWKUMW-UHFFFAOYSA-N, KS-000029PQ, ZX-AP002311, 2-nitro-5-(trifluoromethyl)-phenol, ANW-54750, MFCD08282785, PC6361, SBB093801, ZINC91682326, AKOS005073666, FCH1386695, MCULE-4674879950, NC-0728, NE62849, RP12049, 2-Hydroxy-4-(trifluoromethyl)nitrobenzene, AJ-83785, AB0087681, AX8196587, ST2404522, TR-016060, 4CH-018595, CS-0040594, FT-0681244, V5762, Z-8393, I01-8490, J-510163, I01-12515, 2-Chlorophenyl acetate, C7H4F3NO3, ACN-045074,

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	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number