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134892-46-9 | 5-Bromo-6-isothiocyanatoquinoxaline
CAS No: 134892-46-9 Catalog No: AG003MJQ MDL No:MFCD00799026
Product Description
Catalog Number:
AG003MJQ
Chemical Name:
5-Bromo-6-isothiocyanatoquinoxaline
CAS Number:
134892-46-9
Molecular Formula:
C9H4BrN3S
Molecular Weight:
266.1172
MDL Number:
MFCD00799026
IUPAC Name:
5-bromo-6-isothiocyanatoquinoxaline
InChI:
InChI=1S/C9H4BrN3S/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-4H
InChI Key:
CRNMXQMOFAYYEX-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc2c(c1Br)nccn2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.931g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.116g/mol
Monoisotopic Mass:
264.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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