Methyl 2-acetamido-5-chlorobenzoate - CAS 20676-54-4
Catalog: |
BB016150 |
Product Name: |
Methyl 2-acetamido-5-chlorobenzoate |
CAS: |
20676-54-4 |
Synonyms: |
methyl 2-acetamido-5-chlorobenzoate |
IUPAC Name: | methyl 2-acetamido-5-chlorobenzoate |
Description: | Methyl 2-acetamido-5-chlorobenzoate (CAS# 20676-54-4) is a useful research chemical. |
Molecular Weight: | 227.64 |
Molecular Formula: | C10H10ClNO3 |
Canonical SMILES: | CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)OC |
InChI: | InChI=1S/C10H10ClNO3/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: | TVAAIYFBEWHVCV-UHFFFAOYSA-N |
Boiling Point: | 409 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD00144759 |
LogP: | 2.15800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201014827-A | Process for synthesizing substituted isoquinolines | 20080904 |
AU-2003268735-A1 | Quinazolin-4-one derivatives | 20021003 |
CA-2503674-A1 | Quinazolin-4-one derivatives | 20021003 |
JP-4395073-B2 | Quinazolin-4-one derivatives | 20021003 |
JP-WO2004031180-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: | 227.0349209 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.0349209 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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