Methyl 3-Chloro-2-fluoro-5-nitrobenzoate - CAS 1509132-39-1
Catalog: |
BB010590 |
Product Name: |
Methyl 3-Chloro-2-fluoro-5-nitrobenzoate |
CAS: |
1509132-39-1 |
Synonyms: |
3-chloro-2-fluoro-5-nitrobenzoic acid methyl ester; methyl 3-chloro-2-fluoro-5-nitrobenzoate |
IUPAC Name: | methyl 3-chloro-2-fluoro-5-nitrobenzoate |
Description: | Methyl 3-Chloro-2-fluoro-5-nitrobenzoate (CAS# 1509132-39-1) is a useful research chemical. |
Molecular Weight: | 233.58 |
Molecular Formula: | C8H5ClFNO4 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1F)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5ClFNO4/c1-15-8(12)5-2-4(11(13)14)3-6(9)7(5)10/h2-3H,1H3 |
InChI Key: | AFGXSZFDAXFRAW-UHFFFAOYSA-N |
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 |
CN-101983384-A | Prolyl hydroxylase inhibitors | 20071130 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.9891135 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.9891135 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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