Methyl 2-Chloro-5-nitrobenzoate - CAS 6307-82-0
Catalog: |
BB031987 |
Product Name: |
Methyl 2-Chloro-5-nitrobenzoate |
CAS: |
6307-82-0 |
Synonyms: |
2-chloro-5-nitrobenzoic acid methyl ester; methyl 2-chloro-5-nitrobenzoate |
IUPAC Name: | methyl 2-chloro-5-nitrobenzoate |
Description: | Methyl 2-Chloro-5-nitrobenzoate (CAS# 6307-82-0) is a useful research chemical. |
Molecular Weight: | 215.59 |
Molecular Formula: | C8H6ClNO4 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3 |
InChI Key: | VCYWZLGOWNCJNJ-UHFFFAOYSA-N |
Boiling Point: | 316.7 °C at 760 mmHg |
Density: | 1.426 g/cm3 |
MDL: | MFCD00184587 |
LogP: | 2.55800 |
GHS Hazard Statement: | H315 (80%): 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-108997325-A | A kind of aryl connection thiazole compound and application | 20180706 |
TW-202019408-A | Fused tricyclic heterocyclic compound and its therapeutic use | 20180628 |
CN-110577520-A | Preparation method of 6-nitro-4-substituted amino quinazoline derivative | 20180611 |
CN-110577520-B | Preparation method of 6-nitro-4-substituted amino quinazoline derivative | 20180611 |
CN-110770210-A | Novel amidine compounds | 20170518 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.9985354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.9985354 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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