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13771-68-1 | Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester
CAS No: 13771-68-1 Catalog No: AG0013RP MDL No:MFCD12756246
Product Description
Catalog Number:
AG0013RP
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester
CAS Number:
13771-68-1
Molecular Formula:
C11H9BrO2S
Molecular Weight:
285.1570
MDL Number:
MFCD12756246
IUPAC Name:
ethyl 5-bromo-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H9BrO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
InChI Key:
QYNBPINLQQVHBJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(s1)ccc(c2)Br
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:
4.2
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