AG00828K

1114808-95-5 | 2-Bromo-3-(trifluoromethyl)benzaldehyde

AG00828K

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CAS Number	1114808-95-5
Catalog Number	AG00828K(AGN-PC-0WCZR5)
Chemical Name	2-Bromo-3-(trifluoromethyl)benzaldehyde
IUPAC Name	2-bromo-3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4BrF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChI Key	OAQHJQAZSSRUQA-UHFFFAOYSA-N
MDL Number	MFCD11520657
Molecular Formula	C8H4BrF3O
Molecular Weight	253.0160
SMILES	C(=O)C1=CC=CC(C(F)(F)F)=C1Br
Synonyms	2-Bromo-3-(trifluoromethyl)benzaldehyde, 1114808-95-5, SCHEMBL17761027, CTK8B6673, DTXSID60743148, ANW-53986, MFCD11520657, ZINC81991279, AKOS016000267, FCH1404410, PC49389, AS-46408, AJ-124114, AX8165257, TC-142731, Benzaldehyde, 2-bromo-3-(trifluoromethyl)-, ST24027803, Y3668, Q-8500, C8H4BrF3O,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.018g/mol
Monoisotopic Mass	251.94g/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
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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