1-Bromo-2-chloro-5-(cyclopropylmethoxy)-4-nitrobenzene - CAS 1400644-63-4
Catalog: |
BB061906 |
Product Name: |
1-Bromo-2-chloro-5-(cyclopropylmethoxy)-4-nitrobenzene |
CAS: |
1400644-63-4 |
Synonyms: |
1-Bromo-2-chloro-5-(cyclopropylmethoxy)-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-chloro-5-(cyclopropylmethoxy)-4-nitrobenzene |
Description: | 1-Bromo-2-chloro-5-(cyclopropylmethoxy)-4-nitrobenzene |
Molecular Weight: | 306.54 |
Molecular Formula: | C10H9BrClNO3 |
Canonical SMILES: | C1CC1COC2=CC(=C(C=C2[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C10H9BrClNO3/c11-7-3-10(16-5-6-1-2-6)9(13(14)15)4-8(7)12/h3-4,6H,1-2,5H2 |
InChI Key: | VRLWUGSSQMOBKC-UHFFFAOYSA-N |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.94543 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.94543 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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