Methyl 2-acetamido-5-bromobenzoate - CAS 138825-96-4
Catalog: |
BB008850 |
Product Name: |
Methyl 2-acetamido-5-bromobenzoate |
CAS: |
138825-96-4 |
Synonyms: |
methyl 2-acetamido-5-bromobenzoate |
IUPAC Name: | methyl 2-acetamido-5-bromobenzoate |
Description: | Methyl 2-acetamido-5-bromobenzoate (CAS# 138825-96-4) is a useful research chemical. |
Molecular Weight: | 272.10 |
Molecular Formula: | C10H10BrNO3 |
Canonical SMILES: | CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC |
InChI: | InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13) |
InChI Key: | CPARHIBNDSEJGR-UHFFFAOYSA-N |
Boiling Point: | 415.5 ℃ at 760 mmHg |
Density: | 1.54 g/cm3 |
MDL: | MFCD00144758 |
LogP: | 2.26710 |
Publication Number | Title | Priority Date |
RU-2654062-C2 | Derivatives of quinazolin-4(3h)-one inhibiting sodium-hydrogen exchange | 20160714 |
US-2015126494-A1 | Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease | 20120501 |
US-2016287607-A1 | Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease | 20120501 |
US-9333202-B2 | Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease | 20120501 |
AU-2003268735-A1 | Quinazolin-4-one derivatives | 20021003 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.98441 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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