AG001HVG

142167-36-0 | Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-

AG001HVG

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CAS Number	142167-36-0
Catalog Number	AG001HVG(AGN-PC-0N9ION)
Chemical Name	Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-
IUPAC Name	2-hydroxy-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H4F3NO/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3,13H
InChI Key	FGLWZZOKMAMVSE-UHFFFAOYSA-N
MDL Number	MFCD11213679
Molecular Formula	C8H4F3NO
Molecular Weight	187.1187
SMILES	OC1=C(C#N)C=C(C=C1)C(F)(F)F
Synonyms	142167-36-0, 2-Hydroxy-5-trifluoromethylbenzonitrile, 2-hydroxy-5-(trifluoromethyl)benzonitrile, 2-cyano-4-trifluoromethylphenol, Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-, KSC495E0R, SCHEMBL4594768, CTK3J5208, DTXSID20443975, FGLWZZOKMAMVSE-UHFFFAOYSA-N, KS-00000ZA4, ANW-49086, CL8171, MFCD11213679, WT1621, ZINC95929185, AKOS008124419, AM84106, AS05863, CM13122, CS-W021703, FS-3263, MB09473, MCULE-7850075635, AJ-88421, AK-43811, BR-43811, 3-CYANO-4-(TRIFLUOROMETHOXY)PHENOL, AB0022273, RT-002403, 4CH-000908, FT-0689786, ST24028039, W3095, EN300-74347, S-3449, I01-6659, 142167-36-0 2-hydroxy-5-trifluoromethylbenzonitrile, C8H4F3NO, 3-Hydroxy-4-(trifluoromethyl)benzonitrile, CID10726231, 2-Hydroxy-5-(trifluoromethoxy)benzonitrile, 875664-40-7, 81465-88-5,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.121g/mol
Monoisotopic Mass	187.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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