200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 871332-88-6
871332-88-6 | 3-(Propylcarbamoyl)-5-nitrophenylboronic acid
CAS No: 871332-88-6 Catalog No: AG004KM7 MDL No:MFCD07783880
Product Description
Catalog Number:
AG004KM7
Chemical Name:
3-(Propylcarbamoyl)-5-nitrophenylboronic acid
CAS Number:
871332-88-6
Molecular Formula:
C10H13BN2O5
Molecular Weight:
252.0316
MDL Number:
MFCD07783880
IUPAC Name:
[3-nitro-5-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BN2O5/c1-2-3-12-10(14)7-4-8(11(15)16)6-9(5-7)13(17)18/h4-6,15-16H,2-3H2,1H3,(H,12,14)
InChI Key:
HNHYFGGDBCBQMF-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.033g/mol
Monoisotopic Mass:
252.092g/mol
Rotatable Bond Count:
4
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.