Home Halogens ethyl 3-(bromomethyl)-4-fluoro-1-benzothiophene-2-carboxylate

ethyl 3-(bromomethyl)-4-fluoro-1-benzothiophene-2-carboxylate

CAS No.:
854357-40-7
Catalog Number:
AG019OCA
Molecular Formula:
C12H10BrFO2S
Molecular Weight:
317.1740
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Product Description
Catalog Number:
AG019OCA
Chemical Name:
ethyl 3-(bromomethyl)-4-fluoro-1-benzothiophene-2-carboxylate
CAS Number:
854357-40-7
Molecular Formula:
C12H10BrFO2S
Molecular Weight:
317.1740
MDL Number:
MFCD06655904
IUPAC Name:
ethyl 3-(bromomethyl)-4-fluoro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C12H10BrFO2S/c1-2-16-12(15)11-7(6-13)10-8(14)4-3-5-9(10)17-11/h3-5H,2,6H2,1H3
InChI Key:
VLWGPIATBMFMEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1CBr)c(F)ccc2
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.957g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.172g/mol
Monoisotopic Mass:
315.957g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties