200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 871332-89-7
871332-89-7 | (3-(Butylcarbamoyl)-5-nitrophenyl)boronic acid
CAS No: 871332-89-7 Catalog No: AG008FB7 MDL No:MFCD07783881
Product Description
Catalog Number:
AG008FB7
Chemical Name:
(3-(Butylcarbamoyl)-5-nitrophenyl)boronic acid
CAS Number:
871332-89-7
Molecular Formula:
C11H15BN2O5
Molecular Weight:
266.0582
MDL Number:
MFCD07783881
IUPAC Name:
[3-(butylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C11H15BN2O5/c1-2-3-4-13-11(15)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,2-4H2,1H3,(H,13,15)
InChI Key:
BXFORXWKNBRZNX-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.06g/mol
Monoisotopic Mass:
266.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.