1-Bromo-4-fluoro-3-methyl-2-nitrobenzene - CAS 1286734-82-4
Catalog: |
BB006920 |
Product Name: |
1-Bromo-4-fluoro-3-methyl-2-nitrobenzene |
CAS: |
1286734-82-4 |
Synonyms: |
1-bromo-4-fluoro-3-methyl-2-nitrobenzene; 1-bromo-4-fluoro-3-methyl-2-nitrobenzene |
IUPAC Name: | 1-bromo-4-fluoro-3-methyl-2-nitrobenzene |
Description: | 1-Bromo-4-fluoro-3-methyl-2-nitrobenzene (CAS# 1286734-82-4) is a useful research chemical. |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5BrFNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1[N+](=O)[O-])Br)F |
InChI: | InChI=1S/C7H5BrFNO2/c1-4-6(9)3-2-5(8)7(4)10(11)12/h2-3H,1H3 |
InChI Key: | PZZUMDDGTJMPQD-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.32800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3023340-A1 | Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives | 20160610 |
EP-3468947-A1 | Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives | 20160610 |
JP-2019518754-A | Fluorinated 2-amino-4- (substituted amino) phenyl carbamate derivatives | 20160610 |
US-2017355679-A1 | Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives | 20160610 |
WO-2017214539-A1 | Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives | 20160610 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.94877 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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