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126312-03-6 | Benzo[b]thiophene-2-ethanamine
CAS No: 126312-03-6 Catalog No: AG000SJV MDL No:MFCD08060716
Product Description
Catalog Number:
AG000SJV
Chemical Name:
Benzo[b]thiophene-2-ethanamine
CAS Number:
126312-03-6
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD08060716
IUPAC Name:
2-(1-benzothiophen-2-yl)ethanamine
InChI:
InChI=1S/C10H11NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5-6,11H2
InChI Key:
CXXDPBZCQSWJEZ-UHFFFAOYSA-N
SMILES:
NCCc1cc2c(s1)cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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