Methyl 2-Fluoro-5-formylbenzoate - CAS 165803-94-1
Catalog: |
BB012218 |
Product Name: |
Methyl 2-Fluoro-5-formylbenzoate |
CAS: |
165803-94-1 |
Synonyms: |
2-fluoro-5-formylbenzoic acid methyl ester; methyl 2-fluoro-5-formylbenzoate |
IUPAC Name: | methyl 2-fluoro-5-formylbenzoate |
Description: | Methyl 2-Fluoro-5-formylbenzoate (CAS# 165803-94-1) is a useful research chemical. |
Molecular Weight: | 182.15 |
Molecular Formula: | C9H7FO3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C=O)F |
InChI: | InChI=1S/C9H7FO3/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-5H,1H3 |
InChI Key: | PMWMARHAHYBCLQ-UHFFFAOYSA-N |
MDL: | MFCD18904319 |
LogP: | 1.42480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102017115-B1 | Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient | 20180515 |
KR-20180056603-A | Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient | 20180515 |
KR-102030016-B1 | Novel compound, method for preparing the same, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient | 20160905 |
KR-20180027050-A | Novel compound, method for preparing the same, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient | 20160905 |
WO-2018044136-A1 | Novel compound, preparation method therefor and pharmaceutical composition containing same as active ingredient for preventing or treating diseases associated with poly(adp-ribose) polymerase-1 (parp-1) | 20160905 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03792224 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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