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Home > Boronic Acids > 1072946-03-2
1072946-03-2 | (3-(p-Tolylcarbamoyl);phenyl);boronic acid
CAS No: 1072946-03-2 Catalog No: AG003IA0 MDL No:MFCD10699620
Product Description
Catalog Number:
AG003IA0
Chemical Name:
(3-(p-Tolylcarbamoyl);phenyl);boronic acid
CAS Number:
1072946-03-2
Molecular Formula:
C14H14BNO3
Molecular Weight:
255.0769
MDL Number:
MFCD10699620
IUPAC Name:
[3-[(4-methylphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BNO3/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(9-11)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChI Key:
CCZJEJMKNHPTNG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.08g/mol
Monoisotopic Mass:
255.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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