Home Other Building Blocks 4-Bromo-2-acetamidobenzoic acid

4-Bromo-2-acetamidobenzoic acid

CAS No.:
101861-53-4
Catalog Number:
AG0005SO
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$475
- +
10g
97%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG0005SO
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
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  
Properties