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2645-27-4 | Thiocyanic acid, 5-bromo-2-pyridinyl ester
CAS No: 2645-27-4 Catalog No: AG002TAI MDL No:
Product Description
Catalog Number:
AG002TAI
Chemical Name:
Thiocyanic acid, 5-bromo-2-pyridinyl ester
CAS Number:
2645-27-4
Molecular Formula:
C6H3BrN2S
Molecular Weight:
215.0704
IUPAC Name:
(5-bromopyridin-2-yl) thiocyanate
InChI:
InChI=1S/C6H3BrN2S/c7-5-1-2-6(9-3-5)10-4-8/h1-3H
InChI Key:
BGUYWULWRRSCMK-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cn1)Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.92g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.068g/mol
Monoisotopic Mass:
213.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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