AG000Y7K

128577-47-9 | Benzoic acid, 4-(bromomethyl)-3-fluoro-, methyl ester

AG000Y7K

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CAS Number	128577-47-9
Catalog Number	AG000Y7K(AGN-PC-0215IO)
Chemical Name	Benzoic acid, 4-(bromomethyl)-3-fluoro-, methyl ester
IUPAC Name	methyl 4-(bromomethyl)-3-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3
InChI Key	OJBQAHZJVDWSFD-UHFFFAOYSA-N
MDL Number	MFCD00273345
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	O=C(OC)C1=CC=C(CBr)C(F)=C1
Synonyms	METHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATE, 128577-47-9, 4-Bromomethyl-3-fluorobenzoic acid methyl ester, Methyl 4-bromomethyl-3-fluorobenzoate, Benzoicacid, 4-(bromomethyl)-3-fluoro-, methyl ester, BENZOIC ACID, 4-(BROMOMETHYL)-3-FLUORO-, METHYL ESTER, ACMC-20a8fo, SCHEMBL197186, CTK4B6007, DTXSID30596108, OJBQAHZJVDWSFD-UHFFFAOYSA-N, ZINC2564698, ANW-61858, methyl 4-bromomethyl-3-fluorobenzoat, MFCD00273345, Methyl 3-fluoro-4-bromomethylbenzoate, AKOS015911828, AB05832, CS-W002596, MP-1048, methyl 3-fluoro-4-(bromomethyl)benzoate, AJ-41038, AK-46362, CJ-09677, DS-13798, methyl 4-(bromomethyl)-3-fluoro-benzoate, mmethyl 4-(bromomethyl)-3-fluorobenzoate, SC-14415, SY027656, AB0058369, DB-006732, ST2413381, TC-010345, 4CH-015844, FT-0080667, FT-0646888, Z4066, MFCD00273345 (95%), methyl 4-bromomethyl-3-fluorobenzenecarboxylate, 4-bromomethyl-3-fluoro-benzoic acid methyl ester, 3-Fluoro-4-(bromomethyl)benzoic acid methyl ester, 4-(Bromomethyl)-3-fluorobenzoic acid methyl ester, I14-38223, C9H8BrFO2, Methyl4-(bromomethyl)-3-fluorobenzoate, 4-(BROMOMETHYL)-3-FLUOROBENZOIC ACID,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.063g/mol
Monoisotopic Mass	245.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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