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1159882-51-5 | 2-Thiophenamine, 5-bromo-
CAS No: 1159882-51-5 Catalog No: AG000HDV MDL No:
Product Description
Catalog Number:
AG000HDV
Chemical Name:
2-Thiophenamine, 5-bromo-
CAS Number:
1159882-51-5
Molecular Formula:
C4H4BrNS
Molecular Weight:
178.0503
IUPAC Name:
5-bromothiophen-2-amine
InChI:
InChI=1S/C4H4BrNS/c5-3-1-2-4(6)7-3/h1-2H,6H2
InChI Key:
LVZXKIHSMKEBRO-UHFFFAOYSA-N
SMILES:
Nc1ccc(s1)Br
Properties
Complexity:
68.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.925g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.047g/mol
Monoisotopic Mass:
176.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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