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Home > Boronic Acids > 874459-99-1
874459-99-1 | (3-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
CAS No: 874459-99-1 Catalog No: AG01DTQO MDL No:MFCD28167459
Product Description
Catalog Number:
AG01DTQO
Chemical Name:
(3-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
CAS Number:
874459-99-1
Molecular Formula:
C14H14BNO4
Molecular Weight:
271.0763
MDL Number:
MFCD28167459
IUPAC Name:
[3-[(4-methoxyphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BNO4/c1-20-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(9-10)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChI Key:
CAYFIPXETZSTMI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
318
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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