6-Nitrophthalide - CAS 610-93-5
Catalog: |
BB030942 |
Product Name: |
6-Nitrophthalide |
CAS: |
610-93-5 |
Synonyms: |
6-nitro-3H-2-benzofuran-1-one |
IUPAC Name: | 6-nitro-3H-2-benzofuran-1-one |
Description: | 6-Nitrophthalide (CAS# 610-93-5) is a useful research chemical compound. |
Molecular Weight: | 179.13 |
Molecular Formula: | C8H5NO4 |
Canonical SMILES: | C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1 |
InChI: | InChI=1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2 |
InChI Key: | RNWGZXAHUPFXLL-UHFFFAOYSA-N |
Boiling Point: | 413.4 °C at 760 mmHg |
Density: | 1.519 g/cm3 |
Appearance: | Pale yellow crystalline powder |
MDL: | MFCD00033529 |
LogP: | 1.78840 |
GHS Hazard Statement: | H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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 |
WO-2020236817-A2 | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
WO-2020236825-A2 | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
WO-2020236841-A2 | Antibody drug conjugates having linkers comprising hydrophilic groups | 20190520 |
TW-202100184-A | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
CN-108610237-A | A method of synthesis O-phthalic 01 derivatives | 20180529 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.02185764 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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