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Home > Aldehydes > 108159-96-2
108159-96-2 | 3-fluoro-5-nitrobenzaldehyde
CAS No: 108159-96-2 Catalog No: AG008UHO MDL No:MFCD11111000
Product Description
Catalog Number:
AG008UHO
Chemical Name:
3-fluoro-5-nitrobenzaldehyde
CAS Number:
108159-96-2
Molecular Formula:
C7H4FNO3
Molecular Weight:
169.1100
MDL Number:
MFCD11111000
IUPAC Name:
3-fluoro-5-nitrobenzaldehyde
InChI:
InChI=1S/C7H4FNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
InChI Key:
BNZAUKCPEARMKF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1)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
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