Home Halogens methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate

methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate

CAS No.:
1236150-66-5
Catalog Number:
AG01BRSC
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
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Product Description
Catalog Number:
AG01BRSC
Chemical Name:
methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate
CAS Number:
1236150-66-5
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
MDL Number:
MFCD28348425
IUPAC Name:
methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8BrNO2S/c1-14-10(13)9-7(12)5-3-2-4-6(11)8(5)15-9/h2-4H,12H2,1H3
InChI Key:
FVPGSXBSQPRCOL-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1N)cccc2Br
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.946g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.143g/mol
Monoisotopic Mass:
284.946g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties