AG007VOF

168013-75-0 | Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-

AG007VOF

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CAS Number	168013-75-0
Catalog Number	AG007VOF(AGN-PC-0Q96JD)
Chemical Name	Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-
IUPAC Name	2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H6F3NO/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8,14H
InChI Key	NYWXAQVYSYFVIG-UHFFFAOYSA-N
MDL Number	MFCD12169340
Molecular Formula	C9H6F3NO
Molecular Weight	201.1452
SMILES	N#CC(O)C1=CC=C(C(F)(F)F)C=C1
Synonyms	168013-75-0, 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile, Benzeneacetonitrile,.alpha.-hydroxy-4-(trifluoromethyl)-, Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-, SCHEMBL6908520, CTK4D2841, DTXSID70558568, FCH097291, AKOS009469237, NE43433, RP25843, BBV-21713228, Hydroxy[4-(trifluoromethyl)phenyl]acetonitrile, EN300-174665, alpha-Hydroxy-4-(trifluoromethyl)benzeneacetonitrile, J-519676,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.148g/mol
Monoisotopic Mass	201.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code	\N

Certificate of Analysis

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