3-Fluoro-5-nitrobenzoic Acid - CAS 14027-75-9
Catalog: |
BB009051 |
Product Name: |
3-Fluoro-5-nitrobenzoic Acid |
CAS: |
14027-75-9 |
Synonyms: |
3-fluoro-5-nitrobenzoic acid; 3-fluoro-5-nitrobenzoic acid |
IUPAC Name: | 3-fluoro-5-nitrobenzoic acid |
Description: | 3-Fluoro-5-nitrobenzoic Acid (CAS# 14027-75-9) is a useful research chemical. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])F)C(=O)O |
InChI: | InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11) |
InChI Key: | VIPUIECMSDQUIK-UHFFFAOYSA-N |
Boiling Point: | 341.2 °C at 760 mmHg |
Density: | 1.568 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD05864360 |
LogP: | 1.95530 |
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-2017013593-A1 | Isoquinolinone derivatives as parp inhibitors | 20150722 |
AU-2016243527-A1 | Maytansinoid derivatives, conjugates thereof, and methods of use | 20150327 |
CA-2978340-A1 | Maytansinoid derivatives, conjugates thereof, and methods of use | 20150327 |
CN-107995912-A | CHROMATOGRAPHIC FRACTIONATION AND MASS derivative, its conjugate and application method | 20150327 |
EP-3273998-A1 | Maytansinoid derivatives, conjugates thereof, and methods of use | 20150327 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.01243577 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.01243577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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