Home Boronic Acids 874288-30-9
874288-30-9,MFCD09027206
Catalog No.:AA003IWF
874288-30-9 | 3-Borono-N-(2-bromophenyl)benzamide
Pack Size
Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$58.00   $40.00
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5g
98%
in stock  
$143.00   $100.00
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25g
98%
in stock  
$381.00   $267.00
- +
100g
98%
in stock  
$762.00   $534.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003IWF
Chemical Name:
3-Borono-N-(2-bromophenyl)benzamide
CAS Number:
874288-30-9
Molecular Formula:
C13H11BBrNO3
Molecular Weight:
319.9463
MDL Number:
MFCD09027206
IUPAC Name:
[3-[(2-bromophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrNO3/c15-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
NNXAOPXQCCLTAC-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1ccccc1Br
Properties
Computed Properties
 
Complexity:
316  
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
 
874288-30-9 
3-Borono-N-(2-bromophenyl)benzamide 
ZX-AT011969 
ANW-38754 
MFCD09027206 
OR7418 
AKOS015833554 
ZINC169745123 
RTR-027412 
BC001911 
TR-027412 
ST24034239 
(3-((2-Bromophenyl)carbamoyl)phenyl)boronic acid 
Z0938 
3-[(2-bromophenyl)carbamoyl]phenylboronic acid 
A-3882 
I01-10642 
3-[[(2-BROMOPHENYL)AMINO]CARBONYL]PHENYLBORONIC ACID 
C13H11BBrNO3 
ACN-042934 
3-(2-Bromophenylcarbamoyl)benzeneboronic acid 
3-(2-Bromophenylcarbamoyl)phenylboronic acid 
3-[(2-Bromophenyl)carbamoyl]benzeneboronic acid 
Boronic acid,B-[3-[[(2-bromophenyl)amino]carbonyl]phenyl]- 
{3-[(2-Bromophenyl)carbamoyl]phenyl}boronic acid 
ACMC-209qlw 
CTK5F8400 
DTXSID80657374 
Literature
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