Home Boronic Acids 874288-28-5
874288-28-5,MFCD09475817
Catalog No.:AA003I0Z
874288-28-5 | 3-(4-Bromophenylcarbamoyl)phenylboronic acid
Pack Size
Purity
Availability
Price(USD)
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1g
95%
in stock  
$22.00   $15.00
- +
5g
95%
in stock  
$65.00   $45.00
- +
25g
95%
in stock  
$200.00   $140.00
- +
100g
98%
in stock  
$572.00   $400.00
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Technical Information
Catalog Number:
AA003I0Z
Chemical Name:
3-(4-Bromophenylcarbamoyl)phenylboronic acid
CAS Number:
874288-28-5
Molecular Formula:
C13H11BBrNO3
Molecular Weight:
319.9463
MDL Number:
MFCD09475817
IUPAC Name:
[3-[(4-bromophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
JTIUHKZUVGVPGO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)c1cccc(c1)B(O)O
Properties
Computed Properties
 
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.002g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
319.949g/mol
Monoisotopic Mass:
319.002g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
874288-28-5 
(3-((4-Bromophenyl)carbamoyl)phenyl)boronic acid 
MFCD09475817 
AKOS015835617 
ZINC169808992 
OR11448 
RTR-027411 
AX8083219 
TR-027411 
V8452 
3-[(4-bromophenyl)carbamoyl]phenylboronic acid 
A-4753 
3-(4-Bromophenylcarbamoyl)phenylboronic acid 
3-[(4-Bromophenyl)carbamoyl]benzeneboronic acid 
I04-1812 
Boronicacid,b-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]- 
Boronicacid, B-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]- 
C13H11BBrNO3 
3-[ carbamoyl]benzeneboronicacid 
3-[(4-Bromophenyl)carbamoyl]benzeneboronicacid 
3-Borono-N-(4-bromophenyl)benzamide 
{3-[(4-Bromophenyl)carbamoyl]phenyl}boronic acid 
ACMC-209qlv 
CTK3E7771 
DTXSID40656883 
ZX-AT012231 
ANW-38753 
Literature
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