AG002S1R

261763-02-4 | Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-

AG002S1R

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CAS Number	261763-02-4
Catalog Number	AG002S1R(AGN-PC-0JVOBB)
Chemical Name	Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-
IUPAC Name	3-chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H3ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-3H
InChI Key	MSZTVIFIFJCNRQ-UHFFFAOYSA-N
MDL Number	MFCD01631510
Molecular Formula	C8H3ClF4O
Molecular Weight	226.5554
SMILES	c1(c(c(cc(c1)C(F)(F)F)Cl)F)C=O
Synonyms	3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde, 261763-02-4, Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-, MFCD01631510, 3-chloro-2-fluoro-5-trifluoromethyl-benzaldehyde, PubChem2887, ACMC-20an7f, AC1LEHW9, AC1Q4L3U, SCHEMBL660134, CTK3J6797, KS-00000ZXZ, DTXSID40352999, MSZTVIFIFJCNRQ-UHFFFAOYSA-N, ZINC157235, JRD-0832, ZX-AP001439, 8655AD, PC0144, SBB003313, AKOS015848532, FCH1320107, MCULE-6873682044, PS-7761, RTR-011872, VZ26562, ACM261763024, CC-14648, ZB006614, DB-046872, TR-011872, FT-0615329, ST50826946, 3-Chloro-2-fluoro-5-trifluoromethylbenzaldehyde, 3-chloro-5-trifluoromethyl-2-fluorobenzaldehyde, C-5940, A818276, C-12921, I01-5362, J-016304, 3-chloranyl-2-fluoranyl-5-(trifluoromethyl)benzaldehyde, 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde, 96%, 3 - Chloro - 2 - fluoro - 5 - (trifluoromethyl)benzaldehyde, C8H3ClF4O, CID736336, ZINC00157235, 3-Chloro-2-fluoro-5-(triflroromethyl)benzaldehyde, 95% - 1G 1g,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.981g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.555g/mol
Monoisotopic Mass	225.981g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

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