Home Nitros 3-Fluoro-2-nitrobenzoic acid

3-Fluoro-2-nitrobenzoic acid

CAS No.:
1000339-51-4
Catalog Number:
AG0000CA
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$157
- +
10g
98%
In Stock USA
United States
$257
- +
25g
98%
In Stock USA
United States
$519
- +
Product Description
Catalog Number:
AG0000CA
Chemical Name:
3-Fluoro-2-nitrobenzoic acid
CAS Number:
1000339-51-4
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
MDL Number:
MFCD07368342
IUPAC Name:
3-fluoro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
DTGONJAUUOWYGB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(F)cccc1C(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Head-to-backbone cyclization of peptides on solid support by nucleophilic aromatic substitution. The Journal of organic chemistry 20020222
Properties