AG00387X

1114808-87-5 | 2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE

AG00387X

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CAS Number	1114808-87-5
Catalog Number	AG00387X(AGN-PC-09PZ5O)
Chemical Name	2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE
IUPAC Name	2-bromo-4-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H4BrF3O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-4H
InChI Key	NTFBYDIXDWHKBX-UHFFFAOYSA-N
MDL Number	MFCD09835093
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	BrC1=C(C=O)C=CC(=C1)OC(F)(F)F
Synonyms	2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE, 1114808-87-5, ACMC-20999r, SCHEMBL15147553, CTK4A7371, DTXSID90681766, ANW-16285, MFCD09835093, ZINC40456596, AKOS015835125, FCH1393937, RTR-002272, AS-54449, CJ-20233, AJ-103239, AX8187960, TR-002272, CS-0084353, ST24040107, Y3664, A-4935, 2-Bromo-4-(trifluoromethoxy)benzaldehyde, AldrichCPR, I01-10873, C8H4BrF3O2,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.017g/mol
Monoisotopic Mass	267.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number