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1799412-26-2 | Phenol, 3-chloro-4-fluoro-5-nitro-
CAS No: 1799412-26-2 Catalog No: AG0021GV MDL No:
Product Description
Catalog Number:
AG0021GV
Chemical Name:
Phenol, 3-chloro-4-fluoro-5-nitro-
CAS Number:
1799412-26-2
Molecular Formula:
C6H3ClFNO3
Molecular Weight:
191.5443
IUPAC Name:
3-chloro-4-fluoro-5-nitrophenol
InChI:
InChI=1S/C6H3ClFNO3/c7-4-1-3(10)2-5(6(4)8)9(11)12/h1-2,10H
InChI Key:
IEMSQRYDECBNOD-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c(c(c1)[N+](=O)[O-])F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.542g/mol
Monoisotopic Mass:
190.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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