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863904-21-6 | 6-Bromo-3-hydroxy-benzo[b]thiophene-2-carboxylic acid methyl ester
CAS No: 863904-21-6 Catalog No: AG01EXWI MDL No:
Product Description
Catalog Number:
AG01EXWI
Chemical Name:
6-Bromo-3-hydroxy-benzo[b]thiophene-2-carboxylic acid methyl ester
CAS Number:
863904-21-6
Molecular Formula:
C10H7BrO3S
Molecular Weight:
287.1298
IUPAC Name:
methyl 6-bromo-3-hydroxy-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7BrO3S/c1-14-10(13)9-8(12)6-3-2-5(11)4-7(6)15-9/h2-4,12H,1H3
InChI Key:
QGQYTZCACKYMKO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1O)ccc(c2)Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.93g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.127g/mol
Monoisotopic Mass:
285.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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