1-Fluoro-2-methyl-4-(3-nitrophenyl)benzene - CAS 1355247-86-7
Catalog: |
BB063459 |
Product Name: |
1-Fluoro-2-methyl-4-(3-nitrophenyl)benzene |
CAS: |
1355247-86-7 |
Synonyms: |
1-Fluoro-2-methyl-4-(3-nitrophenyl)benzene; 4-Fluoro-3-methyl-3'-nitro-1,1'-biphenyl |
IUPAC Name: | 1-fluoro-2-methyl-4-(3-nitrophenyl)benzene |
Description: | 1-Fluoro-2-methyl-4-(3-nitrophenyl)benzene |
Molecular Weight: | 231.22 |
Molecular Formula: | C13H10FNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])F |
InChI: | InChI=1S/C13H10FNO2/c1-9-7-11(5-6-13(9)14)10-3-2-4-12(8-10)15(16)17/h2-8H,1H3 |
InChI Key: | UQQYALVXZPMJOW-UHFFFAOYSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.06955672 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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