AG003H8K

112641-20-0 | 2-FLUORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE

AG003H8K

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CAS Number	112641-20-0
Catalog Number	AG003H8K(AGN-PC-0JS843)
Chemical Name	2-FLUORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE
IUPAC Name	2-fluoro-3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChI Key	XDMZVNQKVMTCSP-UHFFFAOYSA-N
MDL Number	MFCD00061246
Molecular Formula	C8H4F4O
Molecular Weight	192.1104
SMILES	FC1=C(C=O)C=CC=C1C(F)(F)F
Synonyms	2-Fluoro-3-(trifluoromethyl)benzaldehyde, 112641-20-0, Benzaldehyde, 2-fluoro-3-(trifluoromethyl)-, XDMZVNQKVMTCSP-UHFFFAOYSA-N, MFCD00061246, 2-fluoro-3-trifluoromethylbenzaldehyde, 2-fluoro-3-trifluoromethyl-benzaldehyde, ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-M-TOLUALDEHYDE, PubChem7149, AC1LAPQT, AC1Q4L3K, ACMC-1C9J0, SCHEMBL622545, CTK4A7904, KS-00002AVF, DTXSID50333759, ATTERCOP-CHM AT111493, JRD-0534, ZINC4264747, ANW-16502, BBL036468, SBB064613, AKOS005257683, AM84199, AS03340, DS-2152, MCULE-7558420864, PS-8344, RTR-002461, VZ24539, 2-fluoro-3-trifluoromethyl benzaldehyde, A, A, A,2-Tetrafluoro-M-tolualdehyde, AJ-49934, AK-97224, BP-12817, CJ-11761, SC-00396, 2-fluoro-3-(trifluoromethyl) benzaldehyde, AB0036492, Benzaldehyde,2-fluoro-3-(trifluoromethyl)-, DB-025022, TR-002461, FT-0612307, ST24040580, ST50826975, Y3690, 2-Fluoro-3-(trifluoromethyl)benzaldehyde, 95%, C-5570, 2 - Fluoro - 3 - (trifluoromethyl)benzaldehyde, I01-5257, J-002807, C8H4F4O, CID517978, ZINC04264747, A2264, 2-Fluoro-3-(trifluoromethyl)benzaldehyde, 97% - 1G 1g,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.113g/mol
Monoisotopic Mass	192.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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