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182184-81-2 | Isoquinoline, 4-bromo-1-nitro-
CAS No: 182184-81-2 Catalog No: AG0023GM MDL No:MFCD11506152
Product Description
Catalog Number:
AG0023GM
Chemical Name:
Isoquinoline, 4-bromo-1-nitro-
CAS Number:
182184-81-2
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD11506152
IUPAC Name:
4-bromo-1-nitroisoquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-8-5-11-9(12(13)14)7-4-2-1-3-6(7)8/h1-5H
InChI Key:
MEQNRTAXJQOUSP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncc(c2c1cccc2)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:
3
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