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140484-64-6 | Furan, 2-(2-bromo-1-propen-1-yl)-5-nitro-
CAS No: 140484-64-6 Catalog No: AG001CIS MDL No:
Product Description
Catalog Number:
AG001CIS
Chemical Name:
Furan, 2-(2-bromo-1-propen-1-yl)-5-nitro-
CAS Number:
140484-64-6
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
IUPAC Name:
2-(2-bromoprop-1-enyl)-5-nitrofuran
InChI:
InChI=1S/C7H6BrNO3/c1-5(8)4-6-2-3-7(12-6)9(10)11/h2-4H,1H3
InChI Key:
HZLSBQZGGWHNLJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=C(Br)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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