Methyl 3-Amino-4-chlorobenzoate - CAS 40872-87-5
Catalog: |
BB024699 |
Product Name: |
Methyl 3-Amino-4-chlorobenzoate |
CAS: |
40872-87-5 |
Synonyms: |
3-amino-4-chlorobenzoic acid methyl ester; methyl 3-amino-4-chlorobenzoate |
IUPAC Name: | methyl 3-amino-4-chlorobenzoate |
Description: | Methyl 3-Amino-4-chlorobenzoate (CAS# 40872-87-5) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)Cl)N |
InChI: | InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3 |
InChI Key: | LOCJPOYKBUUVKU-UHFFFAOYSA-N |
Boiling Point: | 292.1 °C at 760 mmHg |
Density: | 1.311 g/cm3 |
MDL: | MFCD03470533 |
LogP: | 2.29000 |
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 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
WO-2021055295-A1 | Brd9 bifunctional degraders and their methods of use | 20190916 |
CN-111285806-A | Pyrazole compound and preparation method, application and pharmaceutical composition thereof | 20181206 |
WO-2020077014-A1 | Compositions and methods for adjuvant cancer therapeutics | 20181009 |
EP-3863633-A1 | Compositions and methods for adjuvant cancer therapeutics | 20181009 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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