200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 874288-12-7
874288-12-7 | (3-((2-Chloroethyl);carbamoyl);phenyl);boronic acid
CAS No: 874288-12-7 Catalog No: AG003BPV MDL No:MFCD08436013
Product Description
Catalog Number:
AG003BPV
Chemical Name:
(3-((2-Chloroethyl);carbamoyl);phenyl);boronic acid
CAS Number:
874288-12-7
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD08436013
IUPAC Name:
[3-(2-chloroethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c11-4-5-12-9(13)7-2-1-3-8(6-7)10(14)15/h1-3,6,14-15H,4-5H2,(H,12,13)
InChI Key:
OMDXADHEWANBAK-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.