AG004RIG

863248-28-6 | Methyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate

AG004RIG

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CAS Number	863248-28-6
Catalog Number	AG004RIG(AGN-PC-0BU0SC)
Chemical Name	Methyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate
IUPAC Name	methyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate
InChI	InChI=1S/C10H8BrF3O2/c1-16-9(15)6-2-3-7(5-11)8(4-6)10(12,13)14/h2-4H,5H2,1H3
InChI Key	LXXRFFAIWGWJMA-UHFFFAOYSA-N
MDL Number	MFCD26394963
Molecular Formula	C10H8BrF3O2
Molecular Weight	297.0685
SMILES	O=C(OC)C1=CC=C(CBr)C(C(F)(F)F)=C1
Synonyms	methyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate, 863248-28-6, Benzoic acid, 4-(bromomethyl)-3-(trifluoromethyl)-, methyl ester, SCHEMBL1676672, CTK3C7417, DTXSID10726481, LXXRFFAIWGWJMA-UHFFFAOYSA-N, MFCD26394963, ZINC90513322, AS-48678, PC501429, 4-Bromomethyl-3-trifluoromethylbenzoic acid methyl ester, 4-Bromomethyl-3-trifluoromethyl-benzoic acid methyl ester, Benzoic acid,4-(bromomethyl)-3-(trifluoromethyl)-,methyl ester,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.966g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.071g/mol
Monoisotopic Mass	295.966g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number