Methyl 3-(chlorocarbonyl)benzoate - CAS 3441-03-0
Catalog: |
BB022125 |
Product Name: |
Methyl 3-(chlorocarbonyl)benzoate |
CAS: |
3441-03-0 |
Synonyms: |
methyl 3-carbonochloridoylbenzoate |
IUPAC Name: | methyl 3-carbonochloridoylbenzoate |
Description: | Methyl 3-(chlorocarbonyl)benzoate (CAS# 3441-03-0) is a useful research chemical. |
Molecular Weight: | 198.60 |
Molecular Formula: | C9H7ClO3 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)C(=O)Cl |
InChI: | InChI=1S/C9H7ClO3/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3 |
InChI Key: | UTGGIQHJOAPIPD-UHFFFAOYSA-N |
Boiling Point: | 287.9 °C at 760 mmHg |
Density: | 1.291 g/cm3 |
Appearance: | Clear liquid |
MDL: | MFCD09702420 |
LogP: | 1.85220 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3896521-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
US-2021317268-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
WO-2020106695-A1 | Methods of treating cancer | 20181119 |
TW-202038943-A | Methods of treating cancer | 20181119 |
EP-3883605-A1 | Methods of treating cancer | 20181119 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0083718 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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