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144899-95-6 | Benzo[b]thiophene-2-carboxylic acid, 3-amino-4-fluoro-, methyl ester
CAS No: 144899-95-6 Catalog No: AG001KB2 MDL No:MFCD02091511
Product Description
Catalog Number:
AG001KB2
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-amino-4-fluoro-, methyl ester
CAS Number:
144899-95-6
Molecular Formula:
C10H8FNO2S
Molecular Weight:
225.2394
MDL Number:
MFCD02091511
IUPAC Name:
methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8FNO2S/c1-14-10(13)9-8(12)7-5(11)3-2-4-6(7)15-9/h2-4H,12H2,1H3
InChI Key:
WOWVQQVKSSAEDP-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1N)c(F)ccc2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.237g/mol
Monoisotopic Mass:
225.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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