2-Bromo-3-fluoro-1-methoxy-4-nitrobenzene - CAS 1805556-17-5
Catalog:
BB013717
Product Name:
2-Bromo-3-fluoro-1-methoxy-4-nitrobenzene
CAS:
1805556-17-5
Synonyms:
Benzene, 2-bromo-3-fluoro-1-methoxy-4-nitro-
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BB013717
10 g
$1499
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IUPAC Name: 2-bromo-3-fluoro-1-methoxy-4-nitrobenzene
Molecular Weight: 250.02
Molecular Formula: C7H5BrFNO3
Canonical SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])F)Br
InChI: InChI=1S/C7H5BrFNO3/c1-13-5-3-2-4(10(11)12)7(9)6(5)8/h2-3H,1H3
InChI Key: NIIWUCLAZHTKFR-UHFFFAOYSA-N
Melting Point: 301.1±37.0 °C at 760 mmHg
Purity: 98%
Density: 1.7±0.1 g/cm3
Publication Number Title Priority Date
WO-2021188948-A1 Mdm2 degraders and uses thereof 20200319
WO-2020210828-A1 (aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions 20190412
AU-2018350989-A1 Amine-substituted heterocyclic compounds as EHMT2 inhibitors and derivatives thereof 20171017
CA-3079260-A1 Amine-substituted heterocyclic compounds as ehmt2 inhibitors and derivatives thereof 20171017
WO-2019079485-A1 AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF 20171017
Complexity: 199
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 248.94368
Formal Charge: 0
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 248.94368
Rotatable Bond Count: 1
Topological Polar Surface Area: 55
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.5
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