Home Halogens 3-amino-7-bromo-1-benzothiophene-2-carboxylic acid

3-amino-7-bromo-1-benzothiophene-2-carboxylic acid

CAS No.:
1780193-19-2
Catalog Number:
AG01BRSD
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
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Product Description
Catalog Number:
AG01BRSD
Chemical Name:
3-amino-7-bromo-1-benzothiophene-2-carboxylic acid
CAS Number:
1780193-19-2
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
MDL Number:
MFCD29141008
IUPAC Name:
3-amino-7-bromo-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2S/c10-5-3-1-2-4-6(11)8(9(12)13)14-7(4)5/h1-3H,11H2,(H,12,13)
InChI Key:
KSJLJHSHHKPYHW-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1N)cccc2Br
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.93g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.116g/mol
Monoisotopic Mass:
270.93g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties