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139366-35-1 | Quinoline, 8-bromo-5-nitro-
CAS No: 139366-35-1 Catalog No: AG001AVU MDL No:MFCD00509069
Product Description
Catalog Number:
AG001AVU
Chemical Name:
Quinoline, 8-bromo-5-nitro-
CAS Number:
139366-35-1
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD00509069
IUPAC Name:
8-bromo-5-nitroquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
InChI Key:
LEMUPVPKQOTZAE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccn2)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:
3.1
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