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2106-50-5 | Benzene, 2-chloro-4-fluoro-1-nitro-
CAS No: 2106-50-5 Catalog No: AG002KW6 MDL No:MFCD03412200
Product Description
Catalog Number:
AG002KW6
Chemical Name:
Benzene, 2-chloro-4-fluoro-1-nitro-
CAS Number:
2106-50-5
Molecular Formula:
C6H3ClFNO2
Molecular Weight:
175.5449
MDL Number:
MFCD03412200
IUPAC Name:
2-chloro-4-fluoro-1-nitrobenzene
InChI:
InChI=1S/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
InChI Key:
KQOOFMWRLDRDAX-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)[N+](=O)[O-]
EC Number:
218-286-2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.543g/mol
Monoisotopic Mass:
174.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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