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446-11-7 | 4-Fluoro-3-nitrotoluene
CAS No: 446-11-7 Catalog No: AG003LEJ MDL No:MFCD00007060
Product Description
Catalog Number:
AG003LEJ
Chemical Name:
4-Fluoro-3-nitrotoluene
CAS Number:
446-11-7
Molecular Formula:
C7H6FNO2
Molecular Weight:
155.1264
MDL Number:
MFCD00007060
IUPAC Name:
1-fluoro-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChI Key:
OORBDHOQLZRIQR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])F
NSC Number:
93795
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.128g/mol
Monoisotopic Mass:
155.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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