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1780039-50-0 | (6-bromobenzo[b]thiophen-2-yl)methanamine
CAS No: 1780039-50-0 Catalog No: AG003ADA MDL No:MFCD28580997
Product Description
Catalog Number:
AG003ADA
Chemical Name:
(6-bromobenzo[b]thiophen-2-yl)methanamine
CAS Number:
1780039-50-0
Molecular Formula:
C9H8BrNS
Molecular Weight:
242.1355
MDL Number:
MFCD28580997
IUPAC Name:
(6-bromo-1-benzothiophen-2-yl)methanamine
InChI:
InChI=1S/C9H8BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H,5,11H2
InChI Key:
LFZULRRWARPPKY-UHFFFAOYSA-N
SMILES:
NCc1cc2c(s1)cc(cc2)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.134g/mol
Monoisotopic Mass:
240.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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