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1214344-25-8 | Benzene, 1-(chloromethyl)-3-fluoro-5-nitro-
CAS No: 1214344-25-8 Catalog No: AG0014UI MDL No:MFCD13185626
Product Description
Catalog Number:
AG0014UI
Chemical Name:
Benzene, 1-(chloromethyl)-3-fluoro-5-nitro-
CAS Number:
1214344-25-8
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD13185626
IUPAC Name:
1-(chloromethyl)-3-fluoro-5-nitrobenzene
InChI:
InChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChI Key:
RYCSPDIZWBMOTJ-UHFFFAOYSA-N
SMILES:
ClCc1cc(F)cc(c1)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.57g/mol
Monoisotopic Mass:
188.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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