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88038-42-0 | 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(5-bromo-3-pyridinyl)-
CAS No: 88038-42-0 Catalog No: AG004N1F MDL No:
Product Description
Catalog Number:
AG004N1F
Chemical Name:
4H-1,3,4-Thiadiazin-5(6H)-one, 2-(5-bromo-3-pyridinyl)-
CAS Number:
88038-42-0
Molecular Formula:
C8H6BrN3OS
Molecular Weight:
272.1217
IUPAC Name:
2-(5-bromopyridin-3-yl)-4H-1,3,4-thiadiazin-5-one
InChI:
InChI=1S/C8H6BrN3OS/c9-6-1-5(2-10-3-6)8-12-11-7(13)4-14-8/h1-3H,4H2,(H,11,13)
InChI Key:
UQVFFHJGMLYHBO-UHFFFAOYSA-N
SMILES:
O=C1CSC(=NN1)c1cncc(c1)Br
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.941g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.12g/mol
Monoisotopic Mass:
270.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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