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96516-29-9 | 2-Fluoro-3-nitrobenzaldehyde
CAS No: 96516-29-9 Catalog No: AG0036V4 MDL No:MFCD08669885
Product Description
Catalog Number:
AG0036V4
Chemical Name:
2-Fluoro-3-nitrobenzaldehyde
CAS Number:
96516-29-9
Molecular Formula:
C7H4FNO3
Molecular Weight:
169.1100
MDL Number:
MFCD08669885
IUPAC Name:
2-fluoro-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H4FNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
InChI Key:
WLDHPJSICUOHTH-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1F)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.111g/mol
Monoisotopic Mass:
169.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Single-step formation of structurally defined bicyclic peptides via S(N)Ar cyclization. | Organic letters 20010405 |
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