Name: Name:3-(2,5-Dimethylphenylcarbamoyl)-4-fluorobenzeneboronic acid
Brand: Angene
SKU: AG019EQ4
Rating: 90 (10 reviews)

3-(2,5-Dimethylphenylcarbamoyl)-4-fluorobenzeneboronic acid

CAS No.:

2096334-75-5

Catalog Number:

AG019EQ4

Molecular Formula:

C15H15BFNO3

Molecular Weight:

287.0939

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United States

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Catalog Number:

AG019EQ4

Chemical Name:

3-(2,5-Dimethylphenylcarbamoyl)-4-fluorobenzeneboronic acid

CAS Number:

2096334-75-5

Molecular Formula:

C15H15BFNO3

Molecular Weight:

287.0939

MDL Number:

MFCD20040137

IUPAC Name:

[3-[(2,5-dimethylphenyl)carbamoyl]-4-fluorophenyl]boronic acid

InChI:

InChI=1S/C15H15BFNO3/c1-9-3-4-10(2)14(7-9)18-15(19)12-8-11(16(20)21)5-6-13(12)17/h3-8,20-21H,1-2H3,(H,18,19)

InChI Key:

ITTKZMHMESMYEV-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)NC(=O)c1cc(ccc1F)B(O)O)C

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.113g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.097g/mol

Monoisotopic Mass:

287.113g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: