AG00DBRF

537033-56-0 | 4-Bromo-2,3,6-trifluorobenzaldehyde

AG00DBRF

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CAS Number	537033-56-0
Catalog Number	AG00DBRF(AGN-PC-0KKVF2)
Chemical Name	4-Bromo-2,3,6-trifluorobenzaldehyde
IUPAC Name	4-bromo-2,3,6-trifluorobenzaldehyde
InChI	InChI=1S/C7H2BrF3O/c8-4-1-5(9)3(2-12)6(10)7(4)11/h1-2H
InChI Key	LYPYTFIWASJIRU-UHFFFAOYSA-N
MDL Number	MFCD03094468
Molecular Formula	C7H2BrF3O
Molecular Weight	238.9894
SMILES	C(=O)c1c(F)c(F)c(cc1F)Br
Synonyms	4-bromo-2,3,6-trifluorobenzaldehyde, 537033-56-0, PubChem8390, AC1MCMWY, SCHEMBL1591447, CTK7H8140, KS-00000ROF, DTXSID10378444, ZINC2243328, ZX-AP007659, MFCD03094468, PC8247, SBB099017, AKOS022171811, CM11862, FCH1321133, LS10033, AJ-34297, AK136550, AS-33048, AX8258118, ST24043335, S-8114, 4-Bromo-2,3,6-trifluorobenzaldehyde, AldrichCPR, ZINC02243328, CID2773413,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.991g/mol
Monoisotopic Mass	237.924g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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