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1017789-14-8 | 2-Thiophenecarbonitrile, 3-amino-5-bromo-
CAS No: 1017789-14-8 Catalog No: AG0005J4 MDL No:MFCD09991574
Product Description
Catalog Number:
AG0005J4
Chemical Name:
2-Thiophenecarbonitrile, 3-amino-5-bromo-
CAS Number:
1017789-14-8
Molecular Formula:
C5H3BrN2S
Molecular Weight:
203.0597
MDL Number:
MFCD09991574
IUPAC Name:
3-amino-5-bromothiophene-2-carbonitrile
InChI:
InChI=1S/C5H3BrN2S/c6-5-1-3(8)4(2-7)9-5/h1H,8H2
InChI Key:
PZSQZPJVLKWSQD-UHFFFAOYSA-N
SMILES:
N#Cc1sc(cc1N)Br
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.057g/mol
Monoisotopic Mass:
201.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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