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Home> Hot Product Listed M   > MLS000111287
854373-97-0 structure

MLS000111287

Iupac Name:(2-ethoxypyridin-3-yl)boronic acid
CAS No.:854373-97-0
Molecular Weight:166.9702
Molecular Formula:C16H13CL2F3N2O2 (isomer)
Names and Identifiers
Synonyms

4-(2-carbamoylanilino)-4-keto-butyric acid ethyl ester 4-(2-carbamoylanilino)-4-oxobutanoic acid ethyl ester AC1LWZAY AKOS003415448 AN-329/40688584 bdbm40121 CHEMBL1449807 cid_1789210 ethyl 3-[(2-carbamoylphenyl)carbamoyl]propanoate ethyl 3-[n-(2-carbamoylphenyl)carbamoyl]propanoate ethyl 4-(2-carbamoylanilino)-4-oxobutanoate ethyl 4-[(2-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoate ethyl 4-[(2-carbamoylphenyl)amino]-4-oxobutanoate ethyl 4-[2-(aminocarbonyl)anilino]-4-oxobutanoate HMS2411P05 MOLPORT-002-823-662 smr000107213 ST039659 STK071918 ZINC2134163

Inchi
InChI=1/C7H10BNO3/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5,10-11H,2H2,1H3
Canonical Smiles
B(C1=C(N=CC=C1)OCC)(O)O
Properties
Refractive Index
1.517
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36/37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:166.9702g/mol
  • Molecular Formula:C16H13CL2F3N2O2
  • Exact Mass:167.075374
  • Monoisotopic Mass:167.075374
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:62.6
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
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