AG00ID78

Name: Benzoic acid, 3-(bromomethyl)-5-fluoro-, methyl ester
Brand: Angene Chemical
SKU: AG00ID78

816449-87-3 | Benzoic acid, 3-(bromomethyl)-5-fluoro-, methyl ester

AG00ID78

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CAS Number	816449-87-3
Catalog Number	AG00ID78(AGN-PC-0CNRCU)
Chemical Name	Benzoic acid, 3-(bromomethyl)-5-fluoro-, methyl ester
IUPAC Name	methyl 3-(bromomethyl)-5-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,5H2,1H3
InChI Key	LOZCUFYQMNZINM-UHFFFAOYSA-N
MDL Number	MFCD22988208
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	COC(C1=CC(CBr)=CC(F)=C1)=O
Synonyms	methyl 3-(bromomethyl)-5-fluorobenzoate, 816449-87-3, SCHEMBL1401435, LOZCUFYQMNZINM-UHFFFAOYSA-N, MFCD22988208, ZINC116078656, 3-Bromomethyl-5-fluoro-benzoic acid methyl ester, Benzoic acid, 3-(bromomethyl)-5-fluoro-, methyl ester,

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