Home Boronic Acids 1072946-03-2
1072946-03-2,MFCD10699620
Catalog No.:AA003I78
1072946-03-2 | 3-(p-Tolylcarbamoyl)phenylboronic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$43.00   $30.00
- +
5g
95%
in stock  
$115.00   $80.00
- +
25g
98%
in stock  
$381.00   $267.00
- +
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Technical Information
Catalog Number:
AA003I78
Chemical Name:
3-(p-Tolylcarbamoyl)phenylboronic 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
Computed 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

Synonyms
 
1072946-03-2 
(3-(p-Tolylcarbamoyl)phenyl)boronic acid 
RTR-001549 
OR361659 
AX8159348 
TR-001549 
Z7027 
A-4538 
{3-[(4-Methylphenyl)carbamoyl]phenyl}boronic acid 
I04-2301 
C14H14BNO3 
3-(p-Tolylcarbamoyl)phenylboronicacid 
3-(p-Tolylcarbamoyl)phenylboronic acid 
ACMC-2098r7 
CTK8A9143 
DTXSID80674440 
ANW-15617 
AKOS015840461 
ZINC169903885 
AM86273 
Literature
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