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Home > Boronic Acids > 874459-91-3
874459-91-3 | (4-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
CAS No: 874459-91-3 Catalog No: AG00IELE MDL No:MFCD20527101
Product Description
Catalog Number:
AG00IELE
Chemical Name:
(4-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
CAS Number:
874459-91-3
Molecular Formula:
C14H14BNO4
Molecular Weight:
271.0763
MDL Number:
MFCD20527101
IUPAC Name:
[4-[(4-methoxyphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BNO4/c1-20-13-8-6-12(7-9-13)16-14(17)10-2-4-11(5-3-10)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChI Key:
NFMDDKGEWJLUGO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.079g/mol
Monoisotopic Mass:
271.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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