AG00IIJM

948014-51-5 | [3-Chloro-4-(trifluoromethyl)phenyl]methanol

AG00IIJM

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CAS Number	948014-51-5
Catalog Number	AG00IIJM(AGN-PC-078T7O)
Chemical Name	[3-Chloro-4-(trifluoromethyl)phenyl]methanol
IUPAC Name	[3-chloro-4-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C8H6ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key	ILMGAIHSRGUIOL-UHFFFAOYSA-N
MDL Number	MFCD04972758
Molecular Formula	C8H6ClF3O
Molecular Weight	210.5808
SMILES	OCC1=CC=C(C(F)(F)F)C(Cl)=C1
Synonyms	948014-51-5, 3-Chloro-4-(trifluoromethyl)benzyl alcohol, (3-Chloro-4-(trifluoromethyl)phenyl)methanol, [3-chloro-4-(trifluoromethyl)phenyl]methanol, 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYLALCOHOL, PubChem4903, SCHEMBL2152251, CTK5H7132, DTXSID90659329, ILMGAIHSRGUIOL-UHFFFAOYSA-N, KS-000011NM, ZINC2540214, ZX-AP004234, 4177AF, KM3315, MFCD04972758, PC5446, SBB064471, AKOS015890077, AM84223, CM13332, FCH1325744, PS-8011, RP26581, AJ-39031, 2-Chloro-4-(hydroxymethyl)benzotrifluoride, AB0069073, AX8022052, AX8165296, [3-chloro-4-(trifluoromethyl)phenyl]methan-1-ol, 014C515, I01-4928, C8H6ClF3O, 65735-71-9, (4-Chloro-3-(trifluoromethyl)phenyl)methanol,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.006g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.58g/mol
Monoisotopic Mass	210.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number