AG01A5RM

Name: Benzoic acid, 3-(bromomethyl)-4-fluoro-, methyl ester
Brand: Angene Chemical
SKU: AG01A5RM

878744-25-3 | Benzoic acid, 3-(bromomethyl)-4-fluoro-, methyl ester

AG01A5RM

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CAS Number	878744-25-3
Catalog Number	AG01A5RM
Chemical Name	Benzoic acid, 3-(bromomethyl)-4-fluoro-, methyl ester
IUPAC Name	methyl 3-(bromomethyl)-4-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI Key	LJNYXXWIWSCHKW-UHFFFAOYSA-N
MDL Number	MFCD16036856
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	COC(=O)c1ccc(c(c1)CBr)F
Synonyms	METHYL 3-(BROMOMETHYL)-4-FLUOROBENZOATE, 878744-25-3, SCHEMBL1756375, LJNYXXWIWSCHKW-UHFFFAOYSA-N, ZINC88190242, AKOS030626424, NE36381, 3-Bromomethyl-4-fluorobenzoic acid methyl ester, 3-Bromomethyl-4-fluoro-benzoic acid methyl ester, Benzoicacid,3-(bromomethyl)-4-fluoro-,methylester,

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

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited