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197707-56-5 | Pyrazine, 2-[(tribromomethyl)sulfonyl]-
CAS No: 197707-56-5 Catalog No: AG002AZ5 MDL No:
Product Description
Catalog Number:
AG002AZ5
Chemical Name:
Pyrazine, 2-[(tribromomethyl)sulfonyl]-
CAS Number:
197707-56-5
Molecular Formula:
C5H3Br3N2O2S
Molecular Weight:
394.8665
IUPAC Name:
2-(tribromomethylsulfonyl)pyrazine
InChI:
InChI=1S/C5H3Br3N2O2S/c6-5(7,8)13(11,12)4-3-9-1-2-10-4/h1-3H
InChI Key:
CVBIVJLRZHYCAH-UHFFFAOYSA-N
SMILES:
BrC(S(=O)(=O)c1nccnc1)(Br)Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.744g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.863g/mol
Monoisotopic Mass:
391.747g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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