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2923-98-0 | Benzaldehyde, 5-fluoro-2-hydroxy-3-nitro-
CAS No: 2923-98-0 Catalog No: AG002XT1 MDL No:
Product Description
Catalog Number:
AG002XT1
Chemical Name:
Benzaldehyde, 5-fluoro-2-hydroxy-3-nitro-
CAS Number:
2923-98-0
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
IUPAC Name:
5-fluoro-2-hydroxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H4FNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
InChI Key:
HIGMVGYUXZIJBF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1O)[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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