1-(Difluoromethoxy)-4-methyl-2-nitrobenzene - CAS 1245772-51-3
Catalog: |
BB051585 |
Product Name: |
1-(Difluoromethoxy)-4-methyl-2-nitrobenzene |
CAS: |
1245772-51-3 |
Synonyms: |
4-Difluoromethoxy-3-nitrotoluene |
IUPAC Name: | 1-(difluoromethoxy)-4-methyl-2-nitrobenzene |
Molecular Weight: | 203.14 |
Molecular Formula: | C8H7F2NO3 |
Canonical SMILES: | CC1=CC(=C(C=C1)OC(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7F2NO3/c1-5-2-3-7(14-8(9)10)6(4-5)11(12)13/h2-4,8H,1H3 |
InChI Key: | QMXOHSHRKHVPOY-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.03939941 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.03939941 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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