Methyl 2-Amino-4,5-difluorobenzoate - CAS 207346-42-7
Catalog: |
BB016238 |
Product Name: |
Methyl 2-Amino-4,5-difluorobenzoate |
CAS: |
207346-42-7 |
Synonyms: |
2-amino-4,5-difluorobenzoic acid methyl ester; methyl 2-amino-4,5-difluorobenzoate |
IUPAC Name: | methyl 2-amino-4,5-difluorobenzoate |
Description: | Methyl 2-Amino-4,5-difluorobenzoate (CAS# 207346-42-7) is a useful research chemical. |
Molecular Weight: | 187.14 |
Molecular Formula: | C8H7F2NO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1N)F)F |
InChI: | InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3 |
InChI Key: | VIAQNTRKUPBQKR-UHFFFAOYSA-N |
Boiling Point: | 274.1 °C at 760 mmHg |
Density: | 1.355 g/cm3 |
MDL: | MFCD09264511 |
LogP: | 1.91480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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