AG002BCS

198205-95-7 | [1,1'-Biphenyl]-4-carboxaldehyde, 2'-(trifluoromethyl)-

AG002BCS

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CAS Number	198205-95-7
Catalog Number	AG002BCS(AGN-PC-0K4N21)
Chemical Name	[1,1'-Biphenyl]-4-carboxaldehyde, 2'-(trifluoromethyl)-
IUPAC Name	4-[2-(trifluoromethyl)phenyl]benzaldehyde
InChI	InChI=1S/C14H9F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-9H
InChI Key	SDDRLRQYSYHJED-UHFFFAOYSA-N
MDL Number	MFCD01631916
Molecular Formula	C14H9F3O
Molecular Weight	250.2159
SMILES	C1=CC=CC(=C1C2=CC=C(C=C2)C=O)C(F)(F)F
Synonyms	198205-95-7, 2'-TrifluoroMethyl-Biphenyl-4-Carbaldehyde, 2'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde, 4-[2-(trifluoromethyl)phenyl]benzaldehyde, 2'-Trifluoromethylbiphenyl-4-carbaldehyde, 2'-(Trifluoromethyl)biphenyl-4-carbaldehyde, 2'-(trifluoromethyl)[1,1'-biphenyl]-4-carbaldehyde, [1,1'-Biphenyl]-4-carboxaldehyde,2'-(trifluoromethyl)-, PubChem9322, AC1LRCGJ, AC1Q4IMA, SCHEMBL566340, CTK4E2446, DTXSID70362627, SDDRLRQYSYHJED-UHFFFAOYSA-N, 4PNL-S04-0, KS-00000HA8, ZINC1257235, ANW-51608, AR2075, MFCD01631916, SBB067586, AKOS004116967, DS-0159, RTR-009203, VZ21919, 4-(2'-trifluoromethylphenyl)benzaldehyde, 2-trifluoromethyl-biphenyl-4-carbaldehyde, AJ-25218, AK-21701, BR-21701, CJ-04810, ZB016166, 2'-Trifluoromethyl biphenyl-4-carbaldehyde, 2;-Trifluoromethyl-biphenyl-4-carbaldehyde, AB0023196, DB-001465, ST2408952, TR-009203, 4CH-007767, BB 0224025, FT-0643844, W4205, S-2972, A813968, J-012805, 2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde, 2'-trifluoromethyl-biphenyl-4-carbaldehyde, AldrichCPR, F9995-2660, [1,1'-Biphenyl]-4-carboxaldehyde, 2'-(trifluoromethyl)-, C14H9F3O, ZINC01257235, CID1392653,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.061g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.22g/mol
Monoisotopic Mass	250.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

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