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113485-20-4 | Furan, 2-(2-bromoethynyl)-5-nitro-
CAS No: 113485-20-4 Catalog No: AG0008Q6 MDL No:
Product Description
Catalog Number:
AG0008Q6
Chemical Name:
Furan, 2-(2-bromoethynyl)-5-nitro-
CAS Number:
113485-20-4
Molecular Formula:
C6H2BrNO3
Molecular Weight:
215.9890
IUPAC Name:
2-(2-bromoethynyl)-5-nitrofuran
InChI:
InChI=1S/C6H2BrNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-2H
InChI Key:
GUXLLSFQXUZJGR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C#CBr
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.922g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.99g/mol
Monoisotopic Mass:
214.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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