Home Bromides 101861-53-4
101861-53-4,MFCD12805958
Catalog No.:AA0005PW
101861-53-4 | 4-Bromo-2-acetamidobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$172.00   $120.00
- +
5g
97%
in stock  
$604.00   $423.00
- +
10g
97%
in stock  
$921.00   $645.00
- +
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Technical Information
Catalog Number:
AA0005PW
Chemical Name:
4-Bromo-2-acetamidobenzoic acid
CAS Number:
101861-53-4
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD12805958
IUPAC Name:
2-acetamido-4-bromobenzoic acid
InChI:
InChI=1S/C9H8BrNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
HODOWTASDNNNCT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(Br)ccc1C(=O)O
Properties
Computed Properties
 
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
4-bromo-2-acetamidobenzoic acid 
101861-53-4 
DTXSID10557772 
HODOWTASDNNNCT-UHFFFAOYSA-N 
ZINC34254446 
AKOS010138807 
NE57089 
NCGC00171019-01 
EN300-59434 
J3.519.605F 
PK04_096193 
Z2216720825 
2-Acetamido-4-bromobenzoic acid 
Benzoic acid, 2-(acetylamino)-4-bromo- 
2-acetylamino-4-bromobenzoic acid 
ACMC-20m4vd 
4-bromoacetaminobenzoic acid 
AC1Q1KJ3 
SCHEMBL3915465 
CTK0G7943 
Literature
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