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850197-72-7 | 6-Bromo-5-nitroisoquinoline
CAS No: 850197-72-7 Catalog No: AG004TDW MDL No:MFCD08282782
Product Description
Catalog Number:
AG004TDW
Chemical Name:
6-Bromo-5-nitroisoquinoline
CAS Number:
850197-72-7
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD08282782
IUPAC Name:
6-bromo-5-nitroisoquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H
InChI Key:
COTVYJVDXKFNRB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)ccc2c1ccnc2
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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