Name: Name:Benzoic acid, 5-(bromomethyl)-2-fluoro-, methyl ester
Brand: Angene
SKU: AG005Q12
Rating: 90 (10 reviews)

Benzoic acid, 5-(bromomethyl)-2-fluoro-, methyl ester

CAS No.:

709-45-5

Catalog Number:

AG005Q12

Molecular Formula:

C9H8BrFO2

Molecular Weight:

247.0610

Catalog Number:

AG005Q12

Chemical Name:

Benzoic acid, 5-(bromomethyl)-2-fluoro-, methyl ester

CAS Number:

709-45-5

Molecular Formula:

C9H8BrFO2

Molecular Weight:

247.0610

MDL Number:

MFCD25459290

IUPAC Name:

methyl 5-(bromomethyl)-2-fluorobenzoate

InChI:

InChI=1S/C9H8BrFO2/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4H,5H2,1H3

InChI Key:

GHEFZYZTGHKBBI-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(CBr)ccc1F

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.063g/mol

Monoisotopic Mass:

245.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4