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Home Boronic acids (3-((4-methoxybenzyl)carbamoyl)phenyl)boronic acid

(3-((4-methoxybenzyl)carbamoyl)phenyl)boronic acid

CAS No.:
874288-15-0
Catalog Number:
AG01DDIC
Molecular Formula:
C15H16BNO4
Molecular Weight:
285.1028
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Product Description
Catalog Number:
AG01DDIC
Chemical Name:
(3-((4-methoxybenzyl)carbamoyl)phenyl)boronic acid
CAS Number:
874288-15-0
Molecular Formula:
C15H16BNO4
Molecular Weight:
285.1028
MDL Number:
MFCD28167469
IUPAC Name:
[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H16BNO4/c1-21-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(9-12)16(19)20/h2-9,19-20H,10H2,1H3,(H,17,18)
InChI Key:
WJHSWLXHDJCBAY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.117g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
285.106g/mol
Monoisotopic Mass:
285.117g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties