2-Chloro-1-fluoro-4-(3-nitrophenyl)benzene - CAS 1355247-49-2
Catalog: |
BB062521 |
Product Name: |
2-Chloro-1-fluoro-4-(3-nitrophenyl)benzene |
CAS: |
1355247-49-2 |
Synonyms: |
2-Chloro-1-fluoro-4-(3-nitrophenyl)benzene; 3-Chloro-4-fluoro-3'-nitro-1,1'-biphenyl |
IUPAC Name: | 2-chloro-1-fluoro-4-(3-nitrophenyl)benzene |
Description: | 2-Chloro-1-fluoro-4-(3-nitrophenyl)benzene |
Molecular Weight: | 251.64 |
Molecular Formula: | C12H7ClFNO2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=C(C=C2)F)Cl |
InChI: | InChI=1S/C12H7ClFNO2/c13-11-7-9(4-5-12(11)14)8-2-1-3-10(6-8)15(16)17/h1-7H |
InChI Key: | YRLWLQFWSYVFHE-UHFFFAOYSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0149343 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0149343 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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