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63927-23-1 | 5-Bromo-8-nitroisoquinoline
CAS No: 63927-23-1 Catalog No: AG003MJY MDL No:MFCD02091227
Product Description
Catalog Number:
AG003MJY
Chemical Name:
5-Bromo-8-nitroisoquinoline
CAS Number:
63927-23-1
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD02091227
IUPAC Name:
5-bromo-8-nitroisoquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5H
InChI Key:
ULGOLOXWHJEZNZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cncc2)Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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