Home Halogens methyl 3-(bromomethyl)-1-benzothiophene-2-carboxylate

methyl 3-(bromomethyl)-1-benzothiophene-2-carboxylate

CAS No.:
39811-69-3
Catalog Number:
AG01A9JB
Molecular Formula:
C11H9BrO2S
Molecular Weight:
285.1570
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Product Description
Catalog Number:
AG01A9JB
Chemical Name:
methyl 3-(bromomethyl)-1-benzothiophene-2-carboxylate
CAS Number:
39811-69-3
Molecular Formula:
C11H9BrO2S
Molecular Weight:
285.1570
MDL Number:
MFCD16622107
IUPAC Name:
methyl 3-(bromomethyl)-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H9BrO2S/c1-14-11(13)10-8(6-12)7-4-2-3-5-9(7)15-10/h2-5H,6H2,1H3
InChI Key:
LJNQYZIGHTUFKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1CBr)cccc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.951g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.155g/mol
Monoisotopic Mass:
283.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties